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+1/2,x+1/2,z,+1	{ 4⁺₀₀₁ \| 1/2 1/2 0 }
3	y+1/2,-x+1/2,z,+1	{ 4^-₀₀₁ \| 1/2 1/2 0 }
4	y,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 0 1/2 1/2 }
5	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
8	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
9	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
10	y,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 0 1/2 0 }
11	-y,x+1/2,-z,+1	{ -4^-₀₀₁ \| 0 1/2 0 }
12	-y+1/2,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 1/2 1/2 1/2 }
13	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
14	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
15	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
16	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
17	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
18	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
19	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
20	y+1/2,x,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
21	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
22	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
23	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
24	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
25	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
26	y+1/2,-x,-z,+1	{ -4⁺₀₀₁ \| 1/2 0 0 }
27	-y+1/2,x,-z,+1	{ -4^-₀₀₁ \| 1/2 0 0 }
28	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
29	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
30	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
31	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
32	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
(0,1/2,0)' + set click here to show and hide
33	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
34	-y+1/2,x,z,-1	{ 4'⁺₀₀₁ \| 1/2 0 0 }
35	y+1/2,-x,z,-1	{ 4'^-₀₀₁ \| 1/2 0 0 }
36	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
37	-y,-x,-z+1/2,-1	{ 2'_1-10 \| 0 0 1/2 }
38	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
39	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
40	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
41	-x,-y,-z,-1	{ -1' \| 0 }
42	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
43	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
44	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
45	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
46	x,y,-z,-1	{ m'₀₀₁ \| 0 }
47	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
48	-x,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 0 1/2 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,x+1/2,z,-1	{ 4'⁺₀₀₁ \| 0 1/2 0 }
51	y,-x+1/2,z,-1	{ 4'^-₀₀₁ \| 0 1/2 0 }
52	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
53	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
54	-x+1/2,-y,z,-1	{ 2'₀₀₁ \| 1/2 0 0 }
55	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
56	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
57	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
58	y+1/2,-x+1/2,-z,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 0 }
59	-y+1/2,x+1/2,-z,-1	{ -4'^-₀₀₁ \| 1/2 1/2 0 }
60	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
61	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
62	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
63	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
64	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }

[Hide]

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-y,-x,-z,+1	2_1-10
6	-x,-y,z,+1	2₀₀₁
7	-x,y,-z,+1	2₀₁₀
8	x,-y,-z,+1	2₁₀₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	-y,-x,z,+1	m₁₁₀
13	y,x,z,+1	m_1-10
14	x,y,-z,+1	m₀₀₁
15	x,-y,z,+1	m₀₁₀
16	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	y,x,-z,-1	2'₁₁₀
21	-y,-x,-z,-1	2'_1-10
22	-x,-y,z,-1	2'₀₀₁
23	-x,y,-z,-1	2'₀₁₀
24	x,-y,-z,-1	2'₁₀₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-y,-x,z,-1	m'₁₁₀
29	y,x,z,-1	m'_1-10
30	x,y,-z,-1	m'₀₀₁
31	x,-y,z,-1	m'₀₁₀
32	-x,y,z,-1	m'₁₀₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd	Nd	0.08680	0.33680	0.00000	32	m_x,m_y,0	1.34	-1.34	0.0	1.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba_1	Ba	0.00000	0.00000	0.25000	8
Ba_2	Ba	0.25000	0.25000	0.75000	8
Zn	Zn	0.00000	0.25000	0.25000	16
O1_1	O	0.00000	0.00000	0.00000	8
O1_2	O	0.25000	0.25000	0.50000	8
O2	O	0.17735	0.42735	0.13120	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 Nd:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08680	0.33680	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
2	0.16320	0.58680	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
3	0.83680	0.41320	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
4	0.33680	0.58680	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
5	0.66320	0.41320	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
6	0.91320	0.66320	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
7	0.91320	0.83680	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
8	0.08680	0.16320	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
(1/2,1/2,0) + set click here to show and hide
9	0.58680	0.83680	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
10	0.66320	0.08680	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
11	0.33680	0.91320	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
12	0.83680	0.08680	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
13	0.16320	0.91320	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
14	0.41320	0.16320	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
15	0.41320	0.33680	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
16	0.58680	0.66320	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
(0,1/2,0)' + set click here to show and hide
17	0.08680	0.83680	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
18	0.16320	0.08680	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
19	0.83680	0.91320	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
20	0.33680	0.08680	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
21	0.66320	0.91320	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
22	0.91320	0.16320	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
23	0.91320	0.33680	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
24	0.08680	0.66320	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.58680	0.33680	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
26	0.66320	0.58680	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
27	0.33680	0.41320	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
28	0.83680	0.58680	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
29	0.16320	0.41320	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
30	0.41320	0.66320	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
31	0.41320	0.83680	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
32	0.58680	0.16320	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba_1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.50000	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.25000
4	0.50000	0.00000	0.75000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.25000
6	0.00000	0.00000	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.25000
8	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba_2:

Atom	x	y	z
1	0.25000	0.25000	0.75000
2	0.75000	0.25000	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.75000
4	0.25000	0.75000	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.75000	0.75000
6	0.75000	0.75000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.75000
8	0.25000	0.25000	0.25000

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

Atom	x	y	z
1	0.00000	0.25000	0.25000
2	0.25000	0.50000	0.25000
3	0.00000	0.25000	0.75000
4	0.25000	0.50000	0.75000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.25000
6	0.75000	0.00000	0.25000
7	0.50000	0.75000	0.75000
8	0.75000	0.00000	0.75000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.25000
10	0.25000	0.00000	0.25000
11	0.00000	0.75000	0.75000
12	0.25000	0.00000	0.75000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.25000	0.25000
14	0.75000	0.50000	0.25000
15	0.50000	0.25000	0.75000
16	0.75000	0.50000	0.75000

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

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.50000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000
4	0.50000	0.00000	0.50000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000
6	0.00000	0.00000	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000
8	0.50000	0.50000	0.50000

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

Atom	x	y	z
1	0.25000	0.25000	0.50000
2	0.25000	0.75000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.50000
4	0.75000	0.25000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.75000	0.50000
6	0.25000	0.25000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.25000	0.50000
8	0.75000	0.75000	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.17735	0.42735	0.13120
2	0.07265	0.67735	0.13120
3	0.92735	0.32265	0.13120
4	0.42735	0.67735	0.36880
5	0.57265	0.32265	0.36880
6	0.82265	0.57265	0.13120
7	0.82265	0.92735	0.36880
8	0.17735	0.07265	0.36880
9	0.82265	0.07265	0.86880
10	0.42735	0.32265	0.86880
11	0.57265	0.67735	0.86880
12	0.07265	0.32265	0.63120
13	0.92735	0.67735	0.63120
14	0.17735	0.92735	0.86880
15	0.17735	0.57265	0.63120
16	0.82265	0.42735	0.63120
(1/2,1/2,0) + set click here to show and hide
17	0.67735	0.92735	0.13120
18	0.57265	0.17735	0.13120
19	0.42735	0.82265	0.13120
20	0.92735	0.17735	0.36880
21	0.07265	0.82265	0.36880
22	0.32265	0.07265	0.13120
23	0.32265	0.42735	0.36880
24	0.67735	0.57265	0.36880
25	0.32265	0.57265	0.86880
26	0.92735	0.82265	0.86880
27	0.07265	0.17735	0.86880
28	0.57265	0.82265	0.63120
29	0.42735	0.17735	0.63120
30	0.67735	0.42735	0.86880
31	0.67735	0.07265	0.63120
32	0.32265	0.92735	0.63120
(0,1/2,0)' + set click here to show and hide
33	0.17735	0.92735	0.13120
34	0.07265	0.17735	0.13120
35	0.92735	0.82265	0.13120
36	0.42735	0.17735	0.36880
37	0.57265	0.82265	0.36880
38	0.82265	0.07265	0.13120
39	0.82265	0.42735	0.36880
40	0.17735	0.57265	0.36880
41	0.82265	0.57265	0.86880
42	0.42735	0.82265	0.86880
43	0.57265	0.17735	0.86880
44	0.07265	0.82265	0.63120
45	0.92735	0.17735	0.63120
46	0.17735	0.42735	0.86880
47	0.17735	0.07265	0.63120
48	0.82265	0.92735	0.63120
(1/2,0,0)' + set click here to show and hide
49	0.67735	0.42735	0.13120
50	0.57265	0.67735	0.13120
51	0.42735	0.32265	0.13120
52	0.92735	0.67735	0.36880
53	0.07265	0.32265	0.36880
54	0.32265	0.57265	0.13120
55	0.32265	0.92735	0.36880
56	0.67735	0.07265	0.36880
57	0.32265	0.07265	0.86880
58	0.92735	0.32265	0.86880
59	0.07265	0.67735	0.86880
60	0.57265	0.32265	0.63120
61	0.42735	0.67735	0.63120
62	0.67735	0.92735	0.86880
63	0.67735	0.57265	0.63120
64	0.32265	0.42735	0.63120

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd	Nd	0.08680	0.33680	0.00000	32	m_x,m_y,0	1.34	-1.34	0.0	1.90

[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 Nd:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08680	0.33680	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
2	0.16320	0.58680	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
3	0.83680	0.41320	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
4	0.33680	0.58680	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
5	0.66320	0.41320	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
6	0.91320	0.66320	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
7	0.91320	0.83680	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
8	0.08680	0.16320	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
(1/2,1/2,0) + set click here to show and hide
9	0.58680	0.83680	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
10	0.66320	0.08680	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
11	0.33680	0.91320	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
12	0.83680	0.08680	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
13	0.16320	0.91320	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
14	0.41320	0.16320	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
15	0.41320	0.33680	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
16	0.58680	0.66320	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
(0,1/2,0)' + set click here to show and hide
17	0.08680	0.83680	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
18	0.16320	0.08680	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
19	0.83680	0.91320	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
20	0.33680	0.08680	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
21	0.66320	0.91320	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
22	0.91320	0.16320	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
23	0.91320	0.33680	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
24	0.08680	0.66320	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.58680	0.33680	0.00000	-m_x,-m_y,0	-1.34000	1.34000	0.00000
26	0.66320	0.58680	0.00000	m_y,-m_x,0	-1.34000	-1.34000	0.00000
27	0.33680	0.41320	0.00000	-m_y,m_x,0	1.34000	1.34000	0.00000
28	0.83680	0.58680	0.50000	-m_y,-m_x,0	1.34000	-1.34000	0.00000
29	0.16320	0.41320	0.50000	m_y,m_x,0	-1.34000	1.34000	0.00000
30	0.41320	0.66320	0.00000	m_x,m_y,0	1.34000	-1.34000	0.00000
31	0.41320	0.83680	0.50000	m_x,-m_y,0	1.34000	1.34000	0.00000
32	0.58680	0.16320	0.50000	-m_x,m_y,0	-1.34000	-1.34000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX2-	2	1	special-2	primary	2

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

BaNd₂ZnO₅ (#2.73)

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

BaNd2ZnO5 (#2.73)

BaNd₂ZnO₅ (#2.73)