MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	y,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 0 1/4 1/2 }
3	-x,-y+1/4,-z,+1	{ -1 \| 0 1/4 0 }
4	-y+1/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 1/4 1/4 1/2 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	y,x+3/4,-z,+1	{ 2₁₁₀ \| 0 3/4 0 }
7	-x,-y+3/4,-z+1/2,+1	{ -1 \| 0 3/4 1/2 }
8	-y+1/4,-x+3/4,z,+1	{ m₁₁₀ \| 1/4 3/4 0 }
(1/4,1/4,0) + set click here to show and hide
9	x+1/4,y+1/4,z,+1	{ 1 \| 1/4 1/4 0 }
10	y+1/4,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/4 1/2 1/2 }
11	-x+1/4,-y+1/2,-z,+1	{ -1 \| 1/4 1/2 0 }
12	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
(1/4,3/4,1/2) + set click here to show and hide
13	x+1/4,y+3/4,z+1/2,+1	{ 1 \| 1/4 3/4 1/2 }
14	y+1/4,x,-z,+1	{ 2₁₁₀ \| 1/4 0 0 }
15	-x+1/4,-y,-z+1/2,+1	{ -1 \| 1/4 0 1/2 }
16	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
(1/2,0,1/2) + set click here to show and hide
17	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
18	y+1/2,x+1/4,-z,+1	{ 2₁₁₀ \| 1/2 1/4 0 }
19	-x+1/2,-y+1/4,-z+1/2,+1	{ -1 \| 1/2 1/4 1/2 }
20	-y+3/4,-x+1/4,z,+1	{ m₁₁₀ \| 3/4 1/4 0 }
(1/2,1/2,0) + set click here to show and hide
21	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
22	y+1/2,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 1/2 3/4 1/2 }
23	-x+1/2,-y+3/4,-z,+1	{ -1 \| 1/2 3/4 0 }
24	-y+3/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 3/4 3/4 1/2 }
(3/4,1/4,1/2) + set click here to show and hide
25	x+3/4,y+1/4,z+1/2,+1	{ 1 \| 3/4 1/4 1/2 }
26	y+3/4,x+1/2,-z,+1	{ 2₁₁₀ \| 3/4 1/2 0 }
27	-x+3/4,-y+1/2,-z+1/2,+1	{ -1 \| 3/4 1/2 1/2 }
28	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
(3/4,3/4,0) + set click here to show and hide
29	x+3/4,y+3/4,z,+1	{ 1 \| 3/4 3/4 0 }
30	y+3/4,x,-z+1/2,+1	{ 2₁₁₀ \| 3/4 0 1/2 }
31	-x+3/4,-y,-z,+1	{ -1 \| 3/4 0 0 }
32	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
33	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
34	y,x+1/4,-z,-1	{ 2'₁₁₀ \| 0 1/4 0 }
35	-x,-y+1/4,-z+1/2,-1	{ -1' \| 0 1/4 1/2 }
36	-y+1/4,-x+1/4,z,-1	{ m'₁₁₀ \| 1/4 1/4 0 }
(0,1/2,0)' + set click here to show and hide
37	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
38	y,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 0 3/4 1/2 }
39	-x,-y+3/4,-z,-1	{ -1' \| 0 3/4 0 }
40	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
(1/4,1/4,1/2)' + set click here to show and hide
41	x+1/4,y+1/4,z+1/2,-1	{ 1' \| 1/4 1/4 1/2 }
42	y+1/4,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/4 1/2 0 }
43	-x+1/4,-y+1/2,-z+1/2,-1	{ -1' \| 1/4 1/2 1/2 }
44	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
(1/4,3/4,0)' + set click here to show and hide
45	x+1/4,y+3/4,z,-1	{ 1' \| 1/4 3/4 0 }
46	y+1/4,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 0 1/2 }
47	-x+1/4,-y,-z,-1	{ -1' \| 1/4 0 0 }
48	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
49	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
50	y+1/2,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/4 1/2 }
51	-x+1/2,-y+1/4,-z,-1	{ -1' \| 1/2 1/4 0 }
52	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 1/4 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
53	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
54	y+1/2,x+3/4,-z,-1	{ 2'₁₁₀ \| 1/2 3/4 0 }
55	-x+1/2,-y+3/4,-z+1/2,-1	{ -1' \| 1/2 3/4 1/2 }
56	-y+3/4,-x+3/4,z,-1	{ m'₁₁₀ \| 3/4 3/4 0 }
(3/4,1/4,0)' + set click here to show and hide
57	x+3/4,y+1/4,z,-1	{ 1' \| 3/4 1/4 0 }
58	y+3/4,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/2 1/2 }
59	-x+3/4,-y+1/2,-z,-1	{ -1' \| 3/4 1/2 0 }
60	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
(3/4,3/4,1/2)' + set click here to show and hide
61	x+3/4,y+3/4,z+1/2,-1	{ 1' \| 3/4 3/4 1/2 }
62	y+3/4,x,-z,-1	{ 2'₁₁₀ \| 3/4 0 0 }
63	-x+3/4,-y,-z+1/2,-1	{ -1' \| 3/4 0 1/2 }
64	-y,-x,z,-1	{ m'₁₁₀ \| 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	-x,-y,-z,+1	-1
4	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	y,x,-z,-1	2'₁₁₀
7	-x,-y,-z,-1	-1'
8	-y,-x,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	32	m_x,-m_x,m_z	1.365	-1.365	0.0	1.93
Ni1_2	Ni	0.12500	0.12500	0.25000	32	m_x,-m_x,m_z	-1.365	1.365	0.0	1.93

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ta1_1	Ta	0.00000	0.00000	0.16600	32
Ta1_2	Ta	0.12500	0.12500	0.41600	32
Ta1_3	Ta	0.12500	0.12500	0.08400	32
Ta1_4	Ta	0.00000	0.00000	0.83400	32
O1_1	O	0.07675	0.07675	0.00000	64
O1_2	O	0.04825	0.20175	0.25000	32
O1_3	O	0.20175	0.04825	0.25000	32
O2_1	O	0.07425	0.07425	0.16350	64
O2_2	O	0.05075	0.19925	0.41350	32
O2_3	O	0.19925	0.05075	0.41350	32
O2_4	O	0.05075	0.19925	0.08650	32
O2_5	O	0.19925	0.05075	0.08650	32
O2_6	O	0.07425	0.07425	0.83650	64

[Show all atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
2	0.00000	0.25000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
4	0.00000	0.75000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/4,1/4,0) + set click here to show and hide
5	0.25000	0.25000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
6	0.25000	0.50000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/4,3/4,1/2) + set click here to show and hide
7	0.25000	0.75000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
8	0.25000	0.00000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
10	0.50000	0.25000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/2,1/2,0) + set click here to show and hide
11	0.50000	0.50000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
12	0.50000	0.75000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
14	0.75000	0.50000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(3/4,3/4,0) + set click here to show and hide
15	0.75000	0.75000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
16	0.75000	0.00000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
18	0.00000	0.25000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(0,1/2,0)' + set click here to show and hide
19	0.00000	0.50000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
20	0.00000	0.75000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.25000	0.25000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
22	0.25000	0.50000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/4,3/4,0)' + set click here to show and hide
23	0.25000	0.75000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
24	0.25000	0.00000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
26	0.50000	0.25000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.50000	0.50000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
28	0.50000	0.75000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(3/4,1/4,0)' + set click here to show and hide
29	0.75000	0.25000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
30	0.75000	0.50000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.75000	0.75000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
32	0.75000	0.00000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
2	0.12500	0.37500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
4	0.12500	0.87500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/4,1/4,0) + set click here to show and hide
5	0.37500	0.37500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
6	0.37500	0.62500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/4,3/4,1/2) + set click here to show and hide
7	0.37500	0.87500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
8	0.37500	0.12500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
10	0.62500	0.37500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/2,1/2,0) + set click here to show and hide
11	0.62500	0.62500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
12	0.62500	0.87500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(3/4,1/4,1/2) + set click here to show and hide
13	0.87500	0.37500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
14	0.87500	0.62500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(3/4,3/4,0) + set click here to show and hide
15	0.87500	0.87500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
16	0.87500	0.12500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.12500	0.12500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
18	0.12500	0.37500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(0,1/2,0)' + set click here to show and hide
19	0.12500	0.62500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
20	0.12500	0.87500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.37500	0.37500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
22	0.37500	0.62500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/4,3/4,0)' + set click here to show and hide
23	0.37500	0.87500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
24	0.37500	0.12500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.62500	0.12500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
26	0.62500	0.37500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.62500	0.62500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
28	0.62500	0.87500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(3/4,1/4,0)' + set click here to show and hide
29	0.87500	0.37500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
30	0.87500	0.62500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.87500	0.87500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
32	0.87500	0.12500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ta1_1:

Atom	x	y	z
1	0.00000	0.00000	0.16600
2	0.00000	0.25000	0.33400
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.66600
4	0.00000	0.75000	0.83400
(1/4,1/4,0) + set click here to show and hide
5	0.25000	0.25000	0.16600
6	0.25000	0.50000	0.33400
(1/4,3/4,1/2) + set click here to show and hide
7	0.25000	0.75000	0.66600
8	0.25000	0.00000	0.83400
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.66600
10	0.50000	0.25000	0.83400
(1/2,1/2,0) + set click here to show and hide
11	0.50000	0.50000	0.16600
12	0.50000	0.75000	0.33400
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.66600
14	0.75000	0.50000	0.83400
(3/4,3/4,0) + set click here to show and hide
15	0.75000	0.75000	0.16600
16	0.75000	0.00000	0.33400
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.66600
18	0.00000	0.25000	0.83400
(0,1/2,0)' + set click here to show and hide
19	0.00000	0.50000	0.16600
20	0.00000	0.75000	0.33400
(1/4,1/4,1/2)' + set click here to show and hide
21	0.25000	0.25000	0.66600
22	0.25000	0.50000	0.83400
(1/4,3/4,0)' + set click here to show and hide
23	0.25000	0.75000	0.16600
24	0.25000	0.00000	0.33400
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.16600
26	0.50000	0.25000	0.33400
(1/2,1/2,1/2)' + set click here to show and hide
27	0.50000	0.50000	0.66600
28	0.50000	0.75000	0.83400
(3/4,1/4,0)' + set click here to show and hide
29	0.75000	0.25000	0.16600
30	0.75000	0.50000	0.33400
(3/4,3/4,1/2)' + set click here to show and hide
31	0.75000	0.75000	0.66600
32	0.75000	0.00000	0.83400

Set of atoms in the unit cell related by symmetry with the atom Ta1_2:

Atom	x	y	z
1	0.12500	0.12500	0.41600
2	0.12500	0.37500	0.08400
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.91600
4	0.12500	0.87500	0.58400
(1/4,1/4,0) + set click here to show and hide
5	0.37500	0.37500	0.41600
6	0.37500	0.62500	0.08400
(1/4,3/4,1/2) + set click here to show and hide
7	0.37500	0.87500	0.91600
8	0.37500	0.12500	0.58400
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.91600
10	0.62500	0.37500	0.58400
(1/2,1/2,0) + set click here to show and hide
11	0.62500	0.62500	0.41600
12	0.62500	0.87500	0.08400
(3/4,1/4,1/2) + set click here to show and hide
13	0.87500	0.37500	0.91600
14	0.87500	0.62500	0.58400
(3/4,3/4,0) + set click here to show and hide
15	0.87500	0.87500	0.41600
16	0.87500	0.12500	0.08400
(0,0,1/2)' + set click here to show and hide
17	0.12500	0.12500	0.91600
18	0.12500	0.37500	0.58400
(0,1/2,0)' + set click here to show and hide
19	0.12500	0.62500	0.41600
20	0.12500	0.87500	0.08400
(1/4,1/4,1/2)' + set click here to show and hide
21	0.37500	0.37500	0.91600
22	0.37500	0.62500	0.58400
(1/4,3/4,0)' + set click here to show and hide
23	0.37500	0.87500	0.41600
24	0.37500	0.12500	0.08400
(1/2,0,0)' + set click here to show and hide
25	0.62500	0.12500	0.41600
26	0.62500	0.37500	0.08400
(1/2,1/2,1/2)' + set click here to show and hide
27	0.62500	0.62500	0.91600
28	0.62500	0.87500	0.58400
(3/4,1/4,0)' + set click here to show and hide
29	0.87500	0.37500	0.41600
30	0.87500	0.62500	0.08400
(3/4,3/4,1/2)' + set click here to show and hide
31	0.87500	0.87500	0.91600
32	0.87500	0.12500	0.58400

Set of atoms in the unit cell related by symmetry with the atom Ta1_3:

Atom	x	y	z
1	0.12500	0.12500	0.08400
2	0.12500	0.37500	0.41600
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.58400
4	0.12500	0.87500	0.91600
(1/4,1/4,0) + set click here to show and hide
5	0.37500	0.37500	0.08400
6	0.37500	0.62500	0.41600
(1/4,3/4,1/2) + set click here to show and hide
7	0.37500	0.87500	0.58400
8	0.37500	0.12500	0.91600
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.58400
10	0.62500	0.37500	0.91600
(1/2,1/2,0) + set click here to show and hide
11	0.62500	0.62500	0.08400
12	0.62500	0.87500	0.41600
(3/4,1/4,1/2) + set click here to show and hide
13	0.87500	0.37500	0.58400
14	0.87500	0.62500	0.91600
(3/4,3/4,0) + set click here to show and hide
15	0.87500	0.87500	0.08400
16	0.87500	0.12500	0.41600
(0,0,1/2)' + set click here to show and hide
17	0.12500	0.12500	0.58400
18	0.12500	0.37500	0.91600
(0,1/2,0)' + set click here to show and hide
19	0.12500	0.62500	0.08400
20	0.12500	0.87500	0.41600
(1/4,1/4,1/2)' + set click here to show and hide
21	0.37500	0.37500	0.58400
22	0.37500	0.62500	0.91600
(1/4,3/4,0)' + set click here to show and hide
23	0.37500	0.87500	0.08400
24	0.37500	0.12500	0.41600
(1/2,0,0)' + set click here to show and hide
25	0.62500	0.12500	0.08400
26	0.62500	0.37500	0.41600
(1/2,1/2,1/2)' + set click here to show and hide
27	0.62500	0.62500	0.58400
28	0.62500	0.87500	0.91600
(3/4,1/4,0)' + set click here to show and hide
29	0.87500	0.37500	0.08400
30	0.87500	0.62500	0.41600
(3/4,3/4,1/2)' + set click here to show and hide
31	0.87500	0.87500	0.58400
32	0.87500	0.12500	0.91600

Set of atoms in the unit cell related by symmetry with the atom Ta1_4:

Atom	x	y	z
1	0.00000	0.00000	0.83400
2	0.00000	0.25000	0.66600
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.33400
4	0.00000	0.75000	0.16600
(1/4,1/4,0) + set click here to show and hide
5	0.25000	0.25000	0.83400
6	0.25000	0.50000	0.66600
(1/4,3/4,1/2) + set click here to show and hide
7	0.25000	0.75000	0.33400
8	0.25000	0.00000	0.16600
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.33400
10	0.50000	0.25000	0.16600
(1/2,1/2,0) + set click here to show and hide
11	0.50000	0.50000	0.83400
12	0.50000	0.75000	0.66600
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.33400
14	0.75000	0.50000	0.16600
(3/4,3/4,0) + set click here to show and hide
15	0.75000	0.75000	0.83400
16	0.75000	0.00000	0.66600
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.33400
18	0.00000	0.25000	0.16600
(0,1/2,0)' + set click here to show and hide
19	0.00000	0.50000	0.83400
20	0.00000	0.75000	0.66600
(1/4,1/4,1/2)' + set click here to show and hide
21	0.25000	0.25000	0.33400
22	0.25000	0.50000	0.16600
(1/4,3/4,0)' + set click here to show and hide
23	0.25000	0.75000	0.83400
24	0.25000	0.00000	0.66600
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.83400
26	0.50000	0.25000	0.66600
(1/2,1/2,1/2)' + set click here to show and hide
27	0.50000	0.50000	0.33400
28	0.50000	0.75000	0.16600
(3/4,1/4,0)' + set click here to show and hide
29	0.75000	0.25000	0.83400
30	0.75000	0.50000	0.66600
(3/4,3/4,1/2)' + set click here to show and hide
31	0.75000	0.75000	0.33400
32	0.75000	0.00000	0.16600

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.07675	0.07675	0.00000
2	0.07675	0.32675	0.50000
3	0.92325	0.17325	0.00000
4	0.17325	0.17325	0.50000
(0,1/2,1/2) + set click here to show and hide
5	0.07675	0.57675	0.50000
6	0.07675	0.82675	0.00000
7	0.92325	0.67325	0.50000
8	0.17325	0.67325	0.00000
(1/4,1/4,0) + set click here to show and hide
9	0.32675	0.32675	0.00000
10	0.32675	0.57675	0.50000
11	0.17325	0.42325	0.00000
12	0.42325	0.42325	0.50000
(1/4,3/4,1/2) + set click here to show and hide
13	0.32675	0.82675	0.50000
14	0.32675	0.07675	0.00000
15	0.17325	0.92325	0.50000
16	0.42325	0.92325	0.00000
(1/2,0,1/2) + set click here to show and hide
17	0.57675	0.07675	0.50000
18	0.57675	0.32675	0.00000
19	0.42325	0.17325	0.50000
20	0.67325	0.17325	0.00000
(1/2,1/2,0) + set click here to show and hide
21	0.57675	0.57675	0.00000
22	0.57675	0.82675	0.50000
23	0.42325	0.67325	0.00000
24	0.67325	0.67325	0.50000
(3/4,1/4,1/2) + set click here to show and hide
25	0.82675	0.32675	0.50000
26	0.82675	0.57675	0.00000
27	0.67325	0.42325	0.50000
28	0.92325	0.42325	0.00000
(3/4,3/4,0) + set click here to show and hide
29	0.82675	0.82675	0.00000
30	0.82675	0.07675	0.50000
31	0.67325	0.92325	0.00000
32	0.92325	0.92325	0.50000
(0,0,1/2)' + set click here to show and hide
33	0.07675	0.07675	0.50000
34	0.07675	0.32675	0.00000
35	0.92325	0.17325	0.50000
36	0.17325	0.17325	0.00000
(0,1/2,0)' + set click here to show and hide
37	0.07675	0.57675	0.00000
38	0.07675	0.82675	0.50000
39	0.92325	0.67325	0.00000
40	0.17325	0.67325	0.50000
(1/4,1/4,1/2)' + set click here to show and hide
41	0.32675	0.32675	0.50000
42	0.32675	0.57675	0.00000
43	0.17325	0.42325	0.50000
44	0.42325	0.42325	0.00000
(1/4,3/4,0)' + set click here to show and hide
45	0.32675	0.82675	0.00000
46	0.32675	0.07675	0.50000
47	0.17325	0.92325	0.00000
48	0.42325	0.92325	0.50000
(1/2,0,0)' + set click here to show and hide
49	0.57675	0.07675	0.00000
50	0.57675	0.32675	0.50000
51	0.42325	0.17325	0.00000
52	0.67325	0.17325	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
53	0.57675	0.57675	0.50000
54	0.57675	0.82675	0.00000
55	0.42325	0.67325	0.50000
56	0.67325	0.67325	0.00000
(3/4,1/4,0)' + set click here to show and hide
57	0.82675	0.32675	0.00000
58	0.82675	0.57675	0.50000
59	0.67325	0.42325	0.00000
60	0.92325	0.42325	0.50000
(3/4,3/4,1/2)' + set click here to show and hide
61	0.82675	0.82675	0.50000
62	0.82675	0.07675	0.00000
63	0.67325	0.92325	0.50000
64	0.92325	0.92325	0.00000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.04825	0.20175	0.25000
2	0.20175	0.29825	0.25000
(0,1/2,1/2) + set click here to show and hide
3	0.04825	0.70175	0.75000
4	0.20175	0.79825	0.75000
(1/4,1/4,0) + set click here to show and hide
5	0.29825	0.45175	0.25000
6	0.45175	0.54825	0.25000
(1/4,3/4,1/2) + set click here to show and hide
7	0.29825	0.95175	0.75000
8	0.45175	0.04825	0.75000
(1/2,0,1/2) + set click here to show and hide
9	0.54825	0.20175	0.75000
10	0.70175	0.29825	0.75000
(1/2,1/2,0) + set click here to show and hide
11	0.54825	0.70175	0.25000
12	0.70175	0.79825	0.25000
(3/4,1/4,1/2) + set click here to show and hide
13	0.79825	0.45175	0.75000
14	0.95175	0.54825	0.75000
(3/4,3/4,0) + set click here to show and hide
15	0.79825	0.95175	0.25000
16	0.95175	0.04825	0.25000
(0,0,1/2)' + set click here to show and hide
17	0.04825	0.20175	0.75000
18	0.20175	0.29825	0.75000
(0,1/2,0)' + set click here to show and hide
19	0.04825	0.70175	0.25000
20	0.20175	0.79825	0.25000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.29825	0.45175	0.75000
22	0.45175	0.54825	0.75000
(1/4,3/4,0)' + set click here to show and hide
23	0.29825	0.95175	0.25000
24	0.45175	0.04825	0.25000
(1/2,0,0)' + set click here to show and hide
25	0.54825	0.20175	0.25000
26	0.70175	0.29825	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.54825	0.70175	0.75000
28	0.70175	0.79825	0.75000
(3/4,1/4,0)' + set click here to show and hide
29	0.79825	0.45175	0.25000
30	0.95175	0.54825	0.25000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.79825	0.95175	0.75000
32	0.95175	0.04825	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.20175	0.04825	0.25000
2	0.04825	0.45175	0.25000
(0,1/2,1/2) + set click here to show and hide
3	0.20175	0.54825	0.75000
4	0.04825	0.95175	0.75000
(1/4,1/4,0) + set click here to show and hide
5	0.45175	0.29825	0.25000
6	0.29825	0.70175	0.25000
(1/4,3/4,1/2) + set click here to show and hide
7	0.45175	0.79825	0.75000
8	0.29825	0.20175	0.75000
(1/2,0,1/2) + set click here to show and hide
9	0.70175	0.04825	0.75000
10	0.54825	0.45175	0.75000
(1/2,1/2,0) + set click here to show and hide
11	0.70175	0.54825	0.25000
12	0.54825	0.95175	0.25000
(3/4,1/4,1/2) + set click here to show and hide
13	0.95175	0.29825	0.75000
14	0.79825	0.70175	0.75000
(3/4,3/4,0) + set click here to show and hide
15	0.95175	0.79825	0.25000
16	0.79825	0.20175	0.25000
(0,0,1/2)' + set click here to show and hide
17	0.20175	0.04825	0.75000
18	0.04825	0.45175	0.75000
(0,1/2,0)' + set click here to show and hide
19	0.20175	0.54825	0.25000
20	0.04825	0.95175	0.25000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.45175	0.29825	0.75000
22	0.29825	0.70175	0.75000
(1/4,3/4,0)' + set click here to show and hide
23	0.45175	0.79825	0.25000
24	0.29825	0.20175	0.25000
(1/2,0,0)' + set click here to show and hide
25	0.70175	0.04825	0.25000
26	0.54825	0.45175	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.70175	0.54825	0.75000
28	0.54825	0.95175	0.75000
(3/4,1/4,0)' + set click here to show and hide
29	0.95175	0.29825	0.25000
30	0.79825	0.70175	0.25000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.95175	0.79825	0.75000
32	0.79825	0.20175	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.07425	0.07425	0.16350
2	0.07425	0.32425	0.33650
3	0.92575	0.17575	0.83650
4	0.17575	0.17575	0.66350
(0,1/2,1/2) + set click here to show and hide
5	0.07425	0.57425	0.66350
6	0.07425	0.82425	0.83650
7	0.92575	0.67575	0.33650
8	0.17575	0.67575	0.16350
(1/4,1/4,0) + set click here to show and hide
9	0.32425	0.32425	0.16350
10	0.32425	0.57425	0.33650
11	0.17575	0.42575	0.83650
12	0.42575	0.42575	0.66350
(1/4,3/4,1/2) + set click here to show and hide
13	0.32425	0.82425	0.66350
14	0.32425	0.07425	0.83650
15	0.17575	0.92575	0.33650
16	0.42575	0.92575	0.16350
(1/2,0,1/2) + set click here to show and hide
17	0.57425	0.07425	0.66350
18	0.57425	0.32425	0.83650
19	0.42575	0.17575	0.33650
20	0.67575	0.17575	0.16350
(1/2,1/2,0) + set click here to show and hide
21	0.57425	0.57425	0.16350
22	0.57425	0.82425	0.33650
23	0.42575	0.67575	0.83650
24	0.67575	0.67575	0.66350
(3/4,1/4,1/2) + set click here to show and hide
25	0.82425	0.32425	0.66350
26	0.82425	0.57425	0.83650
27	0.67575	0.42575	0.33650
28	0.92575	0.42575	0.16350
(3/4,3/4,0) + set click here to show and hide
29	0.82425	0.82425	0.16350
30	0.82425	0.07425	0.33650
31	0.67575	0.92575	0.83650
32	0.92575	0.92575	0.66350
(0,0,1/2)' + set click here to show and hide
33	0.07425	0.07425	0.66350
34	0.07425	0.32425	0.83650
35	0.92575	0.17575	0.33650
36	0.17575	0.17575	0.16350
(0,1/2,0)' + set click here to show and hide
37	0.07425	0.57425	0.16350
38	0.07425	0.82425	0.33650
39	0.92575	0.67575	0.83650
40	0.17575	0.67575	0.66350
(1/4,1/4,1/2)' + set click here to show and hide
41	0.32425	0.32425	0.66350
42	0.32425	0.57425	0.83650
43	0.17575	0.42575	0.33650
44	0.42575	0.42575	0.16350
(1/4,3/4,0)' + set click here to show and hide
45	0.32425	0.82425	0.16350
46	0.32425	0.07425	0.33650
47	0.17575	0.92575	0.83650
48	0.42575	0.92575	0.66350
(1/2,0,0)' + set click here to show and hide
49	0.57425	0.07425	0.16350
50	0.57425	0.32425	0.33650
51	0.42575	0.17575	0.83650
52	0.67575	0.17575	0.66350
(1/2,1/2,1/2)' + set click here to show and hide
53	0.57425	0.57425	0.66350
54	0.57425	0.82425	0.83650
55	0.42575	0.67575	0.33650
56	0.67575	0.67575	0.16350
(3/4,1/4,0)' + set click here to show and hide
57	0.82425	0.32425	0.16350
58	0.82425	0.57425	0.33650
59	0.67575	0.42575	0.83650
60	0.92575	0.42575	0.66350
(3/4,3/4,1/2)' + set click here to show and hide
61	0.82425	0.82425	0.66350
62	0.82425	0.07425	0.83650
63	0.67575	0.92575	0.33650
64	0.92575	0.92575	0.16350

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.05075	0.19925	0.41350
2	0.19925	0.30075	0.08650
(0,1/2,1/2) + set click here to show and hide
3	0.05075	0.69925	0.91350
4	0.19925	0.80075	0.58650
(1/4,1/4,0) + set click here to show and hide
5	0.30075	0.44925	0.41350
6	0.44925	0.55075	0.08650
(1/4,3/4,1/2) + set click here to show and hide
7	0.30075	0.94925	0.91350
8	0.44925	0.05075	0.58650
(1/2,0,1/2) + set click here to show and hide
9	0.55075	0.19925	0.91350
10	0.69925	0.30075	0.58650
(1/2,1/2,0) + set click here to show and hide
11	0.55075	0.69925	0.41350
12	0.69925	0.80075	0.08650
(3/4,1/4,1/2) + set click here to show and hide
13	0.80075	0.44925	0.91350
14	0.94925	0.55075	0.58650
(3/4,3/4,0) + set click here to show and hide
15	0.80075	0.94925	0.41350
16	0.94925	0.05075	0.08650
(0,0,1/2)' + set click here to show and hide
17	0.05075	0.19925	0.91350
18	0.19925	0.30075	0.58650
(0,1/2,0)' + set click here to show and hide
19	0.05075	0.69925	0.41350
20	0.19925	0.80075	0.08650
(1/4,1/4,1/2)' + set click here to show and hide
21	0.30075	0.44925	0.91350
22	0.44925	0.55075	0.58650
(1/4,3/4,0)' + set click here to show and hide
23	0.30075	0.94925	0.41350
24	0.44925	0.05075	0.08650
(1/2,0,0)' + set click here to show and hide
25	0.55075	0.19925	0.41350
26	0.69925	0.30075	0.08650
(1/2,1/2,1/2)' + set click here to show and hide
27	0.55075	0.69925	0.91350
28	0.69925	0.80075	0.58650
(3/4,1/4,0)' + set click here to show and hide
29	0.80075	0.44925	0.41350
30	0.94925	0.55075	0.08650
(3/4,3/4,1/2)' + set click here to show and hide
31	0.80075	0.94925	0.91350
32	0.94925	0.05075	0.58650

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.19925	0.05075	0.41350
2	0.05075	0.44925	0.08650
(0,1/2,1/2) + set click here to show and hide
3	0.19925	0.55075	0.91350
4	0.05075	0.94925	0.58650
(1/4,1/4,0) + set click here to show and hide
5	0.44925	0.30075	0.41350
6	0.30075	0.69925	0.08650
(1/4,3/4,1/2) + set click here to show and hide
7	0.44925	0.80075	0.91350
8	0.30075	0.19925	0.58650
(1/2,0,1/2) + set click here to show and hide
9	0.69925	0.05075	0.91350
10	0.55075	0.44925	0.58650
(1/2,1/2,0) + set click here to show and hide
11	0.69925	0.55075	0.41350
12	0.55075	0.94925	0.08650
(3/4,1/4,1/2) + set click here to show and hide
13	0.94925	0.30075	0.91350
14	0.80075	0.69925	0.58650
(3/4,3/4,0) + set click here to show and hide
15	0.94925	0.80075	0.41350
16	0.80075	0.19925	0.08650
(0,0,1/2)' + set click here to show and hide
17	0.19925	0.05075	0.91350
18	0.05075	0.44925	0.58650
(0,1/2,0)' + set click here to show and hide
19	0.19925	0.55075	0.41350
20	0.05075	0.94925	0.08650
(1/4,1/4,1/2)' + set click here to show and hide
21	0.44925	0.30075	0.91350
22	0.30075	0.69925	0.58650
(1/4,3/4,0)' + set click here to show and hide
23	0.44925	0.80075	0.41350
24	0.30075	0.19925	0.08650
(1/2,0,0)' + set click here to show and hide
25	0.69925	0.05075	0.41350
26	0.55075	0.44925	0.08650
(1/2,1/2,1/2)' + set click here to show and hide
27	0.69925	0.55075	0.91350
28	0.55075	0.94925	0.58650
(3/4,1/4,0)' + set click here to show and hide
29	0.94925	0.30075	0.41350
30	0.80075	0.69925	0.08650
(3/4,3/4,1/2)' + set click here to show and hide
31	0.94925	0.80075	0.91350
32	0.80075	0.19925	0.58650

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.05075	0.19925	0.08650
2	0.19925	0.30075	0.41350
(0,1/2,1/2) + set click here to show and hide
3	0.05075	0.69925	0.58650
4	0.19925	0.80075	0.91350
(1/4,1/4,0) + set click here to show and hide
5	0.30075	0.44925	0.08650
6	0.44925	0.55075	0.41350
(1/4,3/4,1/2) + set click here to show and hide
7	0.30075	0.94925	0.58650
8	0.44925	0.05075	0.91350
(1/2,0,1/2) + set click here to show and hide
9	0.55075	0.19925	0.58650
10	0.69925	0.30075	0.91350
(1/2,1/2,0) + set click here to show and hide
11	0.55075	0.69925	0.08650
12	0.69925	0.80075	0.41350
(3/4,1/4,1/2) + set click here to show and hide
13	0.80075	0.44925	0.58650
14	0.94925	0.55075	0.91350
(3/4,3/4,0) + set click here to show and hide
15	0.80075	0.94925	0.08650
16	0.94925	0.05075	0.41350
(0,0,1/2)' + set click here to show and hide
17	0.05075	0.19925	0.58650
18	0.19925	0.30075	0.91350
(0,1/2,0)' + set click here to show and hide
19	0.05075	0.69925	0.08650
20	0.19925	0.80075	0.41350
(1/4,1/4,1/2)' + set click here to show and hide
21	0.30075	0.44925	0.58650
22	0.44925	0.55075	0.91350
(1/4,3/4,0)' + set click here to show and hide
23	0.30075	0.94925	0.08650
24	0.44925	0.05075	0.41350
(1/2,0,0)' + set click here to show and hide
25	0.55075	0.19925	0.08650
26	0.69925	0.30075	0.41350
(1/2,1/2,1/2)' + set click here to show and hide
27	0.55075	0.69925	0.58650
28	0.69925	0.80075	0.91350
(3/4,1/4,0)' + set click here to show and hide
29	0.80075	0.44925	0.08650
30	0.94925	0.55075	0.41350
(3/4,3/4,1/2)' + set click here to show and hide
31	0.80075	0.94925	0.58650
32	0.94925	0.05075	0.91350

Set of atoms in the unit cell related by symmetry with the atom O2_5:

Atom	x	y	z
1	0.19925	0.05075	0.08650
2	0.05075	0.44925	0.41350
(0,1/2,1/2) + set click here to show and hide
3	0.19925	0.55075	0.58650
4	0.05075	0.94925	0.91350
(1/4,1/4,0) + set click here to show and hide
5	0.44925	0.30075	0.08650
6	0.30075	0.69925	0.41350
(1/4,3/4,1/2) + set click here to show and hide
7	0.44925	0.80075	0.58650
8	0.30075	0.19925	0.91350
(1/2,0,1/2) + set click here to show and hide
9	0.69925	0.05075	0.58650
10	0.55075	0.44925	0.91350
(1/2,1/2,0) + set click here to show and hide
11	0.69925	0.55075	0.08650
12	0.55075	0.94925	0.41350
(3/4,1/4,1/2) + set click here to show and hide
13	0.94925	0.30075	0.58650
14	0.80075	0.69925	0.91350
(3/4,3/4,0) + set click here to show and hide
15	0.94925	0.80075	0.08650
16	0.80075	0.19925	0.41350
(0,0,1/2)' + set click here to show and hide
17	0.19925	0.05075	0.58650
18	0.05075	0.44925	0.91350
(0,1/2,0)' + set click here to show and hide
19	0.19925	0.55075	0.08650
20	0.05075	0.94925	0.41350
(1/4,1/4,1/2)' + set click here to show and hide
21	0.44925	0.30075	0.58650
22	0.30075	0.69925	0.91350
(1/4,3/4,0)' + set click here to show and hide
23	0.44925	0.80075	0.08650
24	0.30075	0.19925	0.41350
(1/2,0,0)' + set click here to show and hide
25	0.69925	0.05075	0.08650
26	0.55075	0.44925	0.41350
(1/2,1/2,1/2)' + set click here to show and hide
27	0.69925	0.55075	0.58650
28	0.55075	0.94925	0.91350
(3/4,1/4,0)' + set click here to show and hide
29	0.94925	0.30075	0.08650
30	0.80075	0.69925	0.41350
(3/4,3/4,1/2)' + set click here to show and hide
31	0.94925	0.80075	0.58650
32	0.80075	0.19925	0.91350

Set of atoms in the unit cell related by symmetry with the atom O2_6:

Atom	x	y	z
1	0.07425	0.07425	0.83650
2	0.07425	0.32425	0.66350
3	0.92575	0.17575	0.16350
4	0.17575	0.17575	0.33650
(0,1/2,1/2) + set click here to show and hide
5	0.07425	0.57425	0.33650
6	0.07425	0.82425	0.16350
7	0.92575	0.67575	0.66350
8	0.17575	0.67575	0.83650
(1/4,1/4,0) + set click here to show and hide
9	0.32425	0.32425	0.83650
10	0.32425	0.57425	0.66350
11	0.17575	0.42575	0.16350
12	0.42575	0.42575	0.33650
(1/4,3/4,1/2) + set click here to show and hide
13	0.32425	0.82425	0.33650
14	0.32425	0.07425	0.16350
15	0.17575	0.92575	0.66350
16	0.42575	0.92575	0.83650
(1/2,0,1/2) + set click here to show and hide
17	0.57425	0.07425	0.33650
18	0.57425	0.32425	0.16350
19	0.42575	0.17575	0.66350
20	0.67575	0.17575	0.83650
(1/2,1/2,0) + set click here to show and hide
21	0.57425	0.57425	0.83650
22	0.57425	0.82425	0.66350
23	0.42575	0.67575	0.16350
24	0.67575	0.67575	0.33650
(3/4,1/4,1/2) + set click here to show and hide
25	0.82425	0.32425	0.33650
26	0.82425	0.57425	0.16350
27	0.67575	0.42575	0.66350
28	0.92575	0.42575	0.83650
(3/4,3/4,0) + set click here to show and hide
29	0.82425	0.82425	0.83650
30	0.82425	0.07425	0.66350
31	0.67575	0.92575	0.16350
32	0.92575	0.92575	0.33650
(0,0,1/2)' + set click here to show and hide
33	0.07425	0.07425	0.33650
34	0.07425	0.32425	0.16350
35	0.92575	0.17575	0.66350
36	0.17575	0.17575	0.83650
(0,1/2,0)' + set click here to show and hide
37	0.07425	0.57425	0.83650
38	0.07425	0.82425	0.66350
39	0.92575	0.67575	0.16350
40	0.17575	0.67575	0.33650
(1/4,1/4,1/2)' + set click here to show and hide
41	0.32425	0.32425	0.33650
42	0.32425	0.57425	0.16350
43	0.17575	0.42575	0.66350
44	0.42575	0.42575	0.83650
(1/4,3/4,0)' + set click here to show and hide
45	0.32425	0.82425	0.83650
46	0.32425	0.07425	0.66350
47	0.17575	0.92575	0.16350
48	0.42575	0.92575	0.33650
(1/2,0,0)' + set click here to show and hide
49	0.57425	0.07425	0.83650
50	0.57425	0.32425	0.66350
51	0.42575	0.17575	0.16350
52	0.67575	0.17575	0.33650
(1/2,1/2,1/2)' + set click here to show and hide
53	0.57425	0.57425	0.33650
54	0.57425	0.82425	0.16350
55	0.42575	0.67575	0.66350
56	0.67575	0.67575	0.83650
(3/4,1/4,0)' + set click here to show and hide
57	0.82425	0.32425	0.83650
58	0.82425	0.57425	0.66350
59	0.67575	0.42575	0.16350
60	0.92575	0.42575	0.33650
(3/4,3/4,1/2)' + set click here to show and hide
61	0.82425	0.82425	0.33650
62	0.82425	0.07425	0.16350
63	0.67575	0.92575	0.66350
64	0.92575	0.92575	0.83650

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	32	m_x,-m_x,m_z	1.365	-1.365	0.0	1.93
Ni1_2	Ni	0.12500	0.12500	0.25000	32	m_x,-m_x,m_z	-1.365	1.365	0.0	1.93

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
2	0.00000	0.25000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
4	0.00000	0.75000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/4,1/4,0) + set click here to show and hide
5	0.25000	0.25000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
6	0.25000	0.50000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/4,3/4,1/2) + set click here to show and hide
7	0.25000	0.75000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
8	0.25000	0.00000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
10	0.50000	0.25000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(1/2,1/2,0) + set click here to show and hide
11	0.50000	0.50000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
12	0.50000	0.75000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
14	0.75000	0.50000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(3/4,3/4,0) + set click here to show and hide
15	0.75000	0.75000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
16	0.75000	0.00000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
18	0.00000	0.25000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(0,1/2,0)' + set click here to show and hide
19	0.00000	0.50000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
20	0.00000	0.75000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.25000	0.25000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
22	0.25000	0.50000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/4,3/4,0)' + set click here to show and hide
23	0.25000	0.75000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
24	0.25000	0.00000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
26	0.50000	0.25000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.50000	0.50000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
28	0.50000	0.75000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(3/4,1/4,0)' + set click here to show and hide
29	0.75000	0.25000	0.00000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
30	0.75000	0.50000	0.50000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.75000	0.75000	0.50000	-m_x,m_x,-m_z	-1.36500	1.36500	0.00000
32	0.75000	0.00000	0.00000	m_x,-m_x,m_z	1.36500	-1.36500	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
2	0.12500	0.37500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
4	0.12500	0.87500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/4,1/4,0) + set click here to show and hide
5	0.37500	0.37500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
6	0.37500	0.62500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/4,3/4,1/2) + set click here to show and hide
7	0.37500	0.87500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
8	0.37500	0.12500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
10	0.62500	0.37500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(1/2,1/2,0) + set click here to show and hide
11	0.62500	0.62500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
12	0.62500	0.87500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(3/4,1/4,1/2) + set click here to show and hide
13	0.87500	0.37500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
14	0.87500	0.62500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(3/4,3/4,0) + set click here to show and hide
15	0.87500	0.87500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
16	0.87500	0.12500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.12500	0.12500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
18	0.12500	0.37500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(0,1/2,0)' + set click here to show and hide
19	0.12500	0.62500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
20	0.12500	0.87500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
21	0.37500	0.37500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
22	0.37500	0.62500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/4,3/4,0)' + set click here to show and hide
23	0.37500	0.87500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
24	0.37500	0.12500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.62500	0.12500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
26	0.62500	0.37500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
27	0.62500	0.62500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
28	0.62500	0.87500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(3/4,1/4,0)' + set click here to show and hide
29	0.87500	0.37500	0.25000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
30	0.87500	0.62500	0.25000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
31	0.87500	0.87500	0.75000	-m_x,m_x,-m_z	1.36500	-1.36500	0.00000
32	0.87500	0.12500	0.75000	m_x,-m_x,m_z	-1.36500	1.36500	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mS2	4	1	special	primary	2
MS4	4	1	special	primary	2

MAGNDATA: A Collection of magnetic structures with portable cif-type files

NiTa₂O₆ (#1.112)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

NiTa2O6 (#1.112)

NiTa₂O₆ (#1.112)