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	-x+1/4,-y+1/4,-z,+1	{ -1 \| 1/4 1/4 0 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	-x+1/4,-y+3/4,-z+1/2,+1	{ -1 \| 1/4 3/4 1/2 }
(1/4,1/4,1/2) + set click here to show and hide
5	x+1/4,y+1/4,z+1/2,+1	{ 1 \| 1/4 1/4 1/2 }
6	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
(1/4,3/4,0) + set click here to show and hide
7	x+1/4,y+3/4,z,+1	{ 1 \| 1/4 3/4 0 }
8	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+3/4,-y+1/4,-z+1/2,+1	{ -1 \| 3/4 1/4 1/2 }
(1/2,1/2,0) + set click here to show and hide
11	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
12	-x+3/4,-y+3/4,-z,+1	{ -1 \| 3/4 3/4 0 }
(3/4,1/4,0) + set click here to show and hide
13	x+3/4,y+1/4,z,+1	{ 1 \| 3/4 1/4 0 }
14	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
(3/4,3/4,1/2) + set click here to show and hide
15	x+3/4,y+3/4,z+1/2,+1	{ 1 \| 3/4 3/4 1/2 }
16	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-x+1/4,-y+1/4,-z+1/2,-1	{ -1' \| 1/4 1/4 1/2 }
(0,1/2,0)' + set click here to show and hide
19	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
20	-x+1/4,-y+3/4,-z,-1	{ -1' \| 1/4 3/4 0 }
(1/4,1/4,0)' + set click here to show and hide
21	x+1/4,y+1/4,z,-1	{ 1' \| 1/4 1/4 0 }
22	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
(1/4,3/4,1/2)' + set click here to show and hide
23	x+1/4,y+3/4,z+1/2,-1	{ 1' \| 1/4 3/4 1/2 }
24	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
25	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
26	-x+3/4,-y+1/4,-z,-1	{ -1' \| 3/4 1/4 0 }
(1/2,1/2,1/2)' + set click here to show and hide
27	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
28	-x+3/4,-y+3/4,-z+1/2,-1	{ -1' \| 3/4 3/4 1/2 }
(3/4,1/4,1/2)' + set click here to show and hide
29	x+3/4,y+1/4,z+1/2,-1	{ 1' \| 3/4 1/4 1/2 }
30	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
(3/4,3/4,0)' + set click here to show and hide
31	x+3/4,y+3/4,z,-1	{ 1' \| 3/4 3/4 0 }
32	-x,-y,-z,-1	{ -1' \| 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.25000	16	m_x,m_y,m_z	0.96(5)	-0.04(1)	0.98(5)	1.31

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.00000	16
P1	P	0.31566	0.00000	0.14570	32
O1_1	O	0.01092	0.13150	0.15536	32
O1_2	O	0.98908	0.13150	0.84464	32
O2	O	0.38228	0.00000	0.21987	32
O3	O	0.34369	0.00000	0.05684	32

[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 Mo1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.75000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(1/4,1/4,1/2) + set click here to show and hide
3	0.25000	0.25000	0.75000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(1/4,3/4,0) + set click here to show and hide
4	0.25000	0.75000	0.25000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.75000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(1/2,1/2,0) + set click here to show and hide
6	0.50000	0.50000	0.25000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(3/4,1/4,0) + set click here to show and hide
7	0.75000	0.25000	0.25000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(3/4,3/4,1/2) + set click here to show and hide
8	0.75000	0.75000	0.75000	m_x,m_y,m_z	0.96000	-0.04000	0.98000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(0,1/2,0)' + set click here to show and hide
10	0.00000	0.50000	0.25000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(1/4,1/4,0)' + set click here to show and hide
11	0.25000	0.25000	0.25000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(1/4,3/4,1/2)' + set click here to show and hide
12	0.25000	0.75000	0.75000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.25000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(1/2,1/2,1/2)' + set click here to show and hide
14	0.50000	0.50000	0.75000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(3/4,1/4,1/2)' + set click here to show and hide
15	0.75000	0.25000	0.75000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000
(3/4,3/4,0)' + set click here to show and hide
16	0.75000	0.75000	0.25000	-m_x,-m_y,-m_z	-0.96000	0.04000	-0.98000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

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

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.31566	0.00000	0.14570
2	0.93434	0.25000	0.85430
(0,1/2,1/2) + set click here to show and hide
3	0.31566	0.50000	0.64570
4	0.93434	0.75000	0.35430
(1/4,1/4,1/2) + set click here to show and hide
5	0.56566	0.25000	0.64570
6	0.18434	0.50000	0.35430
(1/4,3/4,0) + set click here to show and hide
7	0.56566	0.75000	0.14570
8	0.18434	0.00000	0.85430
(1/2,0,1/2) + set click here to show and hide
9	0.81566	0.00000	0.64570
10	0.43434	0.25000	0.35430
(1/2,1/2,0) + set click here to show and hide
11	0.81566	0.50000	0.14570
12	0.43434	0.75000	0.85430
(3/4,1/4,0) + set click here to show and hide
13	0.06566	0.25000	0.14570
14	0.68434	0.50000	0.85430
(3/4,3/4,1/2) + set click here to show and hide
15	0.06566	0.75000	0.64570
16	0.68434	0.00000	0.35430
(0,0,1/2)' + set click here to show and hide
17	0.31566	0.00000	0.64570
18	0.93434	0.25000	0.35430
(0,1/2,0)' + set click here to show and hide
19	0.31566	0.50000	0.14570
20	0.93434	0.75000	0.85430
(1/4,1/4,0)' + set click here to show and hide
21	0.56566	0.25000	0.14570
22	0.18434	0.50000	0.85430
(1/4,3/4,1/2)' + set click here to show and hide
23	0.56566	0.75000	0.64570
24	0.18434	0.00000	0.35430
(1/2,0,0)' + set click here to show and hide
25	0.81566	0.00000	0.14570
26	0.43434	0.25000	0.85430
(1/2,1/2,1/2)' + set click here to show and hide
27	0.81566	0.50000	0.64570
28	0.43434	0.75000	0.35430
(3/4,1/4,1/2)' + set click here to show and hide
29	0.06566	0.25000	0.64570
30	0.68434	0.50000	0.35430
(3/4,3/4,0)' + set click here to show and hide
31	0.06566	0.75000	0.14570
32	0.68434	0.00000	0.85430

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

Atom	x	y	z
1	0.01092	0.13150	0.15536
2	0.23908	0.11850	0.84464
(0,1/2,1/2) + set click here to show and hide
3	0.01092	0.63150	0.65536
4	0.23908	0.61850	0.34464
(1/4,1/4,1/2) + set click here to show and hide
5	0.26092	0.38150	0.65536
6	0.48908	0.36850	0.34464
(1/4,3/4,0) + set click here to show and hide
7	0.26092	0.88150	0.15536
8	0.48908	0.86850	0.84464
(1/2,0,1/2) + set click here to show and hide
9	0.51092	0.13150	0.65536
10	0.73908	0.11850	0.34464
(1/2,1/2,0) + set click here to show and hide
11	0.51092	0.63150	0.15536
12	0.73908	0.61850	0.84464
(3/4,1/4,0) + set click here to show and hide
13	0.76092	0.38150	0.15536
14	0.98908	0.36850	0.84464
(3/4,3/4,1/2) + set click here to show and hide
15	0.76092	0.88150	0.65536
16	0.98908	0.86850	0.34464
(0,0,1/2)' + set click here to show and hide
17	0.01092	0.13150	0.65536
18	0.23908	0.11850	0.34464
(0,1/2,0)' + set click here to show and hide
19	0.01092	0.63150	0.15536
20	0.23908	0.61850	0.84464
(1/4,1/4,0)' + set click here to show and hide
21	0.26092	0.38150	0.15536
22	0.48908	0.36850	0.84464
(1/4,3/4,1/2)' + set click here to show and hide
23	0.26092	0.88150	0.65536
24	0.48908	0.86850	0.34464
(1/2,0,0)' + set click here to show and hide
25	0.51092	0.13150	0.15536
26	0.73908	0.11850	0.84464
(1/2,1/2,1/2)' + set click here to show and hide
27	0.51092	0.63150	0.65536
28	0.73908	0.61850	0.34464
(3/4,1/4,1/2)' + set click here to show and hide
29	0.76092	0.38150	0.65536
30	0.98908	0.36850	0.34464
(3/4,3/4,0)' + set click here to show and hide
31	0.76092	0.88150	0.15536
32	0.98908	0.86850	0.84464

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

Atom	x	y	z
1	0.98908	0.13150	0.84464
2	0.26092	0.11850	0.15536
(0,1/2,1/2) + set click here to show and hide
3	0.98908	0.63150	0.34464
4	0.26092	0.61850	0.65536
(1/4,1/4,1/2) + set click here to show and hide
5	0.23908	0.38150	0.34464
6	0.51092	0.36850	0.65536
(1/4,3/4,0) + set click here to show and hide
7	0.23908	0.88150	0.84464
8	0.51092	0.86850	0.15536
(1/2,0,1/2) + set click here to show and hide
9	0.48908	0.13150	0.34464
10	0.76092	0.11850	0.65536
(1/2,1/2,0) + set click here to show and hide
11	0.48908	0.63150	0.84464
12	0.76092	0.61850	0.15536
(3/4,1/4,0) + set click here to show and hide
13	0.73908	0.38150	0.84464
14	0.01092	0.36850	0.15536
(3/4,3/4,1/2) + set click here to show and hide
15	0.73908	0.88150	0.34464
16	0.01092	0.86850	0.65536
(0,0,1/2)' + set click here to show and hide
17	0.98908	0.13150	0.34464
18	0.26092	0.11850	0.65536
(0,1/2,0)' + set click here to show and hide
19	0.98908	0.63150	0.84464
20	0.26092	0.61850	0.15536
(1/4,1/4,0)' + set click here to show and hide
21	0.23908	0.38150	0.84464
22	0.51092	0.36850	0.15536
(1/4,3/4,1/2)' + set click here to show and hide
23	0.23908	0.88150	0.34464
24	0.51092	0.86850	0.65536
(1/2,0,0)' + set click here to show and hide
25	0.48908	0.13150	0.84464
26	0.76092	0.11850	0.15536
(1/2,1/2,1/2)' + set click here to show and hide
27	0.48908	0.63150	0.34464
28	0.76092	0.61850	0.65536
(3/4,1/4,1/2)' + set click here to show and hide
29	0.73908	0.38150	0.34464
30	0.01092	0.36850	0.65536
(3/4,3/4,0)' + set click here to show and hide
31	0.73908	0.88150	0.84464
32	0.01092	0.86850	0.15536

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

Atom	x	y	z
1	0.38228	0.00000	0.21987
2	0.86772	0.25000	0.78013
(0,1/2,1/2) + set click here to show and hide
3	0.38228	0.50000	0.71987
4	0.86772	0.75000	0.28013
(1/4,1/4,1/2) + set click here to show and hide
5	0.63228	0.25000	0.71987
6	0.11772	0.50000	0.28013
(1/4,3/4,0) + set click here to show and hide
7	0.63228	0.75000	0.21987
8	0.11772	0.00000	0.78013
(1/2,0,1/2) + set click here to show and hide
9	0.88228	0.00000	0.71987
10	0.36772	0.25000	0.28013
(1/2,1/2,0) + set click here to show and hide
11	0.88228	0.50000	0.21987
12	0.36772	0.75000	0.78013
(3/4,1/4,0) + set click here to show and hide
13	0.13228	0.25000	0.21987
14	0.61772	0.50000	0.78013
(3/4,3/4,1/2) + set click here to show and hide
15	0.13228	0.75000	0.71987
16	0.61772	0.00000	0.28013
(0,0,1/2)' + set click here to show and hide
17	0.38228	0.00000	0.71987
18	0.86772	0.25000	0.28013
(0,1/2,0)' + set click here to show and hide
19	0.38228	0.50000	0.21987
20	0.86772	0.75000	0.78013
(1/4,1/4,0)' + set click here to show and hide
21	0.63228	0.25000	0.21987
22	0.11772	0.50000	0.78013
(1/4,3/4,1/2)' + set click here to show and hide
23	0.63228	0.75000	0.71987
24	0.11772	0.00000	0.28013
(1/2,0,0)' + set click here to show and hide
25	0.88228	0.00000	0.21987
26	0.36772	0.25000	0.78013
(1/2,1/2,1/2)' + set click here to show and hide
27	0.88228	0.50000	0.71987
28	0.36772	0.75000	0.28013
(3/4,1/4,1/2)' + set click here to show and hide
29	0.13228	0.25000	0.71987
30	0.61772	0.50000	0.28013
(3/4,3/4,0)' + set click here to show and hide
31	0.13228	0.75000	0.21987
32	0.61772	0.00000	0.78013

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.34369	0.00000	0.05684
2	0.90631	0.25000	0.94316
(0,1/2,1/2) + set click here to show and hide
3	0.34369	0.50000	0.55684
4	0.90631	0.75000	0.44316
(1/4,1/4,1/2) + set click here to show and hide
5	0.59369	0.25000	0.55684
6	0.15631	0.50000	0.44316
(1/4,3/4,0) + set click here to show and hide
7	0.59369	0.75000	0.05684
8	0.15631	0.00000	0.94316
(1/2,0,1/2) + set click here to show and hide
9	0.84369	0.00000	0.55684
10	0.40631	0.25000	0.44316
(1/2,1/2,0) + set click here to show and hide
11	0.84369	0.50000	0.05684
12	0.40631	0.75000	0.94316
(3/4,1/4,0) + set click here to show and hide
13	0.09369	0.25000	0.05684
14	0.65631	0.50000	0.94316
(3/4,3/4,1/2) + set click here to show and hide
15	0.09369	0.75000	0.55684
16	0.65631	0.00000	0.44316
(0,0,1/2)' + set click here to show and hide
17	0.34369	0.00000	0.55684
18	0.90631	0.25000	0.44316
(0,1/2,0)' + set click here to show and hide
19	0.34369	0.50000	0.05684
20	0.90631	0.75000	0.94316
(1/4,1/4,0)' + set click here to show and hide
21	0.59369	0.25000	0.05684
22	0.15631	0.50000	0.94316
(1/4,3/4,1/2)' + set click here to show and hide
23	0.59369	0.75000	0.55684
24	0.15631	0.00000	0.44316
(1/2,0,0)' + set click here to show and hide
25	0.84369	0.00000	0.05684
26	0.40631	0.25000	0.94316
(1/2,1/2,1/2)' + set click here to show and hide
27	0.84369	0.50000	0.55684
28	0.40631	0.75000	0.44316
(3/4,1/4,1/2)' + set click here to show and hide
29	0.09369	0.25000	0.55684
30	0.65631	0.50000	0.44316
(3/4,3/4,0)' + set click here to show and hide
31	0.09369	0.75000	0.05684
32	0.65631	0.00000	0.94316

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mo1	Mo	0.00000	0.00000	0.25000	16	m_x,m_y,m_z	0.96(5)	-0.04(1)	0.98(5)	1.31

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

label	dim. small irrep	dim. full irrep	action	number of modes
mL1-	1	2	primary	3

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

BaMo(PO₄)₂ (#1.311)

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

BaMo(PO4)2 (#1.311)

BaMo(PO₄)₂ (#1.311)