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,-y+3/4,-z+3/4,+1	{ 2₁₀₀ \| 0 3/4 3/4 }
3	-x+3/4,y,-z+3/4,+1	{ 2₀₁₀ \| 3/4 0 3/4 }
4	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
5	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
6	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
7	-y+3/4,z,-x+3/4,+1	{ 3^-_1-1-1 \| 3/4 0 3/4 }
8	-z+3/4,-x+3/4,y,+1	{ 3⁺_1-1-1 \| 3/4 3/4 0 }
9	-y+3/4,-z+3/4,x,+1	{ 3^-_-11-1 \| 3/4 3/4 0 }
10	z,-x+3/4,-y+3/4,+1	{ 3⁺_-11-1 \| 0 3/4 3/4 }
11	y,-z+3/4,-x+3/4,+1	{ 3^-_-1-11 \| 0 3/4 3/4 }
12	-z+3/4,x,-y+3/4,+1	{ 3⁺_-1-11 \| 3/4 0 3/4 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	-x,y+1/4,z+1/4,+1	{ m₁₀₀ \| 0 1/4 1/4 }
15	x+1/4,-y,z+1/4,+1	{ m₀₁₀ \| 1/4 0 1/4 }
16	x+1/4,y+1/4,-z,+1	{ m₀₀₁ \| 1/4 1/4 0 }
17	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
18	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
19	y+1/4,-z,x+1/4,+1	{ -3^-_1-1-1 \| 1/4 0 1/4 }
20	z+1/4,x+1/4,-y,+1	{ -3⁺_1-1-1 \| 1/4 1/4 0 }
21	y+1/4,z+1/4,-x,+1	{ -3^-_-11-1 \| 1/4 1/4 0 }
22	-z,x+1/4,y+1/4,+1	{ -3⁺_-11-1 \| 0 1/4 1/4 }
23	-y,z+1/4,x+1/4,+1	{ -3^-_-1-11 \| 0 1/4 1/4 }
24	z+1/4,-x,y+1/4,+1	{ -3⁺_-1-11 \| 1/4 0 1/4 }
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25	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
26	x,-y+1/4,-z+1/4,+1	{ 2₁₀₀ \| 0 1/4 1/4 }
27	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
28	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
29	z,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
30	y,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 0 1/2 1/2 }
31	-y+3/4,z+1/2,-x+1/4,+1	{ 3^-_1-1-1 \| 3/4 1/2 1/4 }
32	-z+3/4,-x+1/4,y+1/2,+1	{ 3⁺_1-1-1 \| 3/4 1/4 1/2 }
33	-y+3/4,-z+1/4,x+1/2,+1	{ 3^-_-11-1 \| 3/4 1/4 1/2 }
34	z,-x+1/4,-y+1/4,+1	{ 3⁺_-11-1 \| 0 1/4 1/4 }
35	y,-z+1/4,-x+1/4,+1	{ 3^-_-1-11 \| 0 1/4 1/4 }
36	-z+3/4,x+1/2,-y+1/4,+1	{ 3⁺_-1-11 \| 3/4 1/2 1/4 }
37	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
38	-x,y+3/4,z+3/4,+1	{ m₁₀₀ \| 0 3/4 3/4 }
39	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
40	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
41	-z,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 0 1/2 1/2 }
42	-y,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 0 1/2 1/2 }
43	y+1/4,-z+1/2,x+3/4,+1	{ -3^-_1-1-1 \| 1/4 1/2 3/4 }
44	z+1/4,x+3/4,-y+1/2,+1	{ -3⁺_1-1-1 \| 1/4 3/4 1/2 }
45	y+1/4,z+3/4,-x+1/2,+1	{ -3^-_-11-1 \| 1/4 3/4 1/2 }
46	-z,x+3/4,y+3/4,+1	{ -3⁺_-11-1 \| 0 3/4 3/4 }
47	-y,z+3/4,x+3/4,+1	{ -3^-_-1-11 \| 0 3/4 3/4 }
48	z+1/4,-x+1/2,y+3/4,+1	{ -3⁺_-1-11 \| 1/4 1/2 3/4 }
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49	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
50	x+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
51	-x+1/4,y,-z+1/4,+1	{ 2₀₁₀ \| 1/4 0 1/4 }
52	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
53	z+1/2,x,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
54	y+1/2,z,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 0 1/2 }
55	-y+1/4,z,-x+1/4,+1	{ 3^-_1-1-1 \| 1/4 0 1/4 }
56	-z+1/4,-x+3/4,y+1/2,+1	{ 3⁺_1-1-1 \| 1/4 3/4 1/2 }
57	-y+1/4,-z+3/4,x+1/2,+1	{ 3^-_-11-1 \| 1/4 3/4 1/2 }
58	z+1/2,-x+3/4,-y+1/4,+1	{ 3⁺_-11-1 \| 1/2 3/4 1/4 }
59	y+1/2,-z+3/4,-x+1/4,+1	{ 3^-_-1-11 \| 1/2 3/4 1/4 }
60	-z+1/4,x,-y+1/4,+1	{ 3⁺_-1-11 \| 1/4 0 1/4 }
61	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
62	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
63	x+3/4,-y,z+3/4,+1	{ m₀₁₀ \| 3/4 0 3/4 }
64	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
65	-z+1/2,-x,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 0 1/2 }
66	-y+1/2,-z,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 0 1/2 }
67	y+3/4,-z,x+3/4,+1	{ -3^-_1-1-1 \| 3/4 0 3/4 }
68	z+3/4,x+1/4,-y+1/2,+1	{ -3⁺_1-1-1 \| 3/4 1/4 1/2 }
69	y+3/4,z+1/4,-x+1/2,+1	{ -3^-_-11-1 \| 3/4 1/4 1/2 }
70	-z+1/2,x+1/4,y+3/4,+1	{ -3⁺_-11-1 \| 1/2 1/4 3/4 }
71	-y+1/2,z+1/4,x+3/4,+1	{ -3^-_-1-11 \| 1/2 1/4 3/4 }
72	z+3/4,-x,y+3/4,+1	{ -3⁺_-1-11 \| 3/4 0 3/4 }
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73	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
74	x+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
75	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
76	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
77	z+1/2,x+1/2,y,+1	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
78	y+1/2,z+1/2,x,+1	{ 3^-₁₁₁ \| 1/2 1/2 0 }
79	-y+1/4,z+1/2,-x+3/4,+1	{ 3^-_1-1-1 \| 1/4 1/2 3/4 }
80	-z+1/4,-x+1/4,y,+1	{ 3⁺_1-1-1 \| 1/4 1/4 0 }
81	-y+1/4,-z+1/4,x,+1	{ 3^-_-11-1 \| 1/4 1/4 0 }
82	z+1/2,-x+1/4,-y+3/4,+1	{ 3⁺_-11-1 \| 1/2 1/4 3/4 }
83	y+1/2,-z+1/4,-x+3/4,+1	{ 3^-_-1-11 \| 1/2 1/4 3/4 }
84	-z+1/4,x+1/2,-y+3/4,+1	{ 3⁺_-1-11 \| 1/4 1/2 3/4 }
85	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
86	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
87	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
88	x+3/4,y+3/4,-z,+1	{ m₀₀₁ \| 3/4 3/4 0 }
89	-z+1/2,-x+1/2,-y,+1	{ -3⁺₁₁₁ \| 1/2 1/2 0 }
90	-y+1/2,-z+1/2,-x,+1	{ -3^-₁₁₁ \| 1/2 1/2 0 }
91	y+3/4,-z+1/2,x+1/4,+1	{ -3^-_1-1-1 \| 3/4 1/2 1/4 }
92	z+3/4,x+3/4,-y,+1	{ -3⁺_1-1-1 \| 3/4 3/4 0 }
93	y+3/4,z+3/4,-x,+1	{ -3^-_-11-1 \| 3/4 3/4 0 }
94	-z+1/2,x+3/4,y+1/4,+1	{ -3⁺_-11-1 \| 1/2 3/4 1/4 }
95	-y+1/2,z+3/4,x+1/4,+1	{ -3^-_-1-11 \| 1/2 3/4 1/4 }
96	z+3/4,-x+1/2,y+1/4,+1	{ -3⁺_-1-11 \| 3/4 1/2 1/4 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	-x,y,z,+1	m₁₀₀
6	-y,-z,-x,+1	-3^-₁₁₁
7	-y,-z,x,+1	3^-_-11-1
8	-y,z,-x,+1	3^-_1-1-1
9	-y,z,x,+1	-3^-_-1-11
10	-z,-x,-y,+1	-3⁺₁₁₁
11	-z,-x,y,+1	3⁺_1-1-1
12	-z,x,-y,+1	3⁺_-1-11
13	-z,x,y,+1	-3⁺_-11-1
14	z,-x,-y,+1	3⁺_-11-1
15	z,-x,y,+1	-3⁺_-1-11
16	z,x,-y,+1	-3⁺_1-1-1
17	z,x,y,+1	3⁺₁₁₁
18	y,-z,-x,+1	3^-_-1-11
19	y,-z,x,+1	-3^-_1-1-1
20	y,z,-x,+1	-3^-_-11-1
21	y,z,x,+1	3^-₁₁₁
22	x,-y,-z,+1	2₁₀₀
23	x,-y,z,+1	m₀₁₀
24	x,y,-z,+1	m₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	16	m_x,m_x,m_x	1.	1.	1.	1.73

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.40071	0.12500	0.12500	48
O1	O	0.97581	0.64680	0.51647	96
C1	C	0.78277	0.78277	0.78277	32
Cl1	Cl	0.50000	0.50000	0.50000	16

[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 Co1:

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_x	1.00000	1.00000	1.00000
2	0.00000	0.75000	0.75000	m_x,-m_x,-m_x	1.00000	-1.00000	-1.00000
3	0.75000	0.00000	0.75000	-m_x,m_x,-m_x	-1.00000	1.00000	-1.00000
4	0.75000	0.75000	0.00000	-m_x,-m_x,m_x	-1.00000	-1.00000	1.00000
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5	0.00000	0.50000	0.50000	m_x,m_x,m_x	1.00000	1.00000	1.00000
6	0.00000	0.25000	0.25000	m_x,-m_x,-m_x	1.00000	-1.00000	-1.00000
7	0.75000	0.50000	0.25000	-m_x,m_x,-m_x	-1.00000	1.00000	-1.00000
8	0.75000	0.25000	0.50000	-m_x,-m_x,m_x	-1.00000	-1.00000	1.00000
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9	0.50000	0.00000	0.50000	m_x,m_x,m_x	1.00000	1.00000	1.00000
10	0.50000	0.75000	0.25000	m_x,-m_x,-m_x	1.00000	-1.00000	-1.00000
11	0.25000	0.00000	0.25000	-m_x,m_x,-m_x	-1.00000	1.00000	-1.00000
12	0.25000	0.75000	0.50000	-m_x,-m_x,m_x	-1.00000	-1.00000	1.00000
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13	0.50000	0.50000	0.00000	m_x,m_x,m_x	1.00000	1.00000	1.00000
14	0.50000	0.25000	0.75000	m_x,-m_x,-m_x	1.00000	-1.00000	-1.00000
15	0.25000	0.50000	0.75000	-m_x,m_x,-m_x	-1.00000	1.00000	-1.00000
16	0.25000	0.25000	0.00000	-m_x,-m_x,m_x	-1.00000	-1.00000	1.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.40071	0.12500	0.12500
2	0.34929	0.12500	0.62500
3	0.12500	0.40071	0.12500
4	0.12500	0.12500	0.40071
5	0.62500	0.12500	0.34929
6	0.62500	0.34929	0.12500
7	0.59929	0.87500	0.87500
8	0.65071	0.87500	0.37500
9	0.87500	0.59929	0.87500
10	0.87500	0.87500	0.59929
11	0.37500	0.87500	0.65071
12	0.37500	0.65071	0.87500
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13	0.40071	0.62500	0.62500
14	0.34929	0.62500	0.12500
15	0.12500	0.90071	0.62500
16	0.12500	0.62500	0.90071
17	0.62500	0.62500	0.84929
18	0.62500	0.84929	0.62500
19	0.59929	0.37500	0.37500
20	0.65071	0.37500	0.87500
21	0.87500	0.09929	0.37500
22	0.87500	0.37500	0.09929
23	0.37500	0.37500	0.15071
24	0.37500	0.15071	0.37500
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25	0.90071	0.12500	0.62500
26	0.84929	0.12500	0.12500
27	0.62500	0.40071	0.62500
28	0.62500	0.12500	0.90071
29	0.12500	0.12500	0.84929
30	0.12500	0.34929	0.62500
31	0.09929	0.87500	0.37500
32	0.15071	0.87500	0.87500
33	0.37500	0.59929	0.37500
34	0.37500	0.87500	0.09929
35	0.87500	0.87500	0.15071
36	0.87500	0.65071	0.37500
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37	0.90071	0.62500	0.12500
38	0.84929	0.62500	0.62500
39	0.62500	0.90071	0.12500
40	0.62500	0.62500	0.40071
41	0.12500	0.62500	0.34929
42	0.12500	0.84929	0.12500
43	0.09929	0.37500	0.87500
44	0.15071	0.37500	0.37500
45	0.37500	0.09929	0.87500
46	0.37500	0.37500	0.59929
47	0.87500	0.37500	0.65071
48	0.87500	0.15071	0.87500

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.97581	0.64680	0.51647
2	0.97581	0.10320	0.23353
3	0.77419	0.64680	0.23353
4	0.77419	0.10320	0.51647
5	0.51647	0.97581	0.64680
6	0.64680	0.51647	0.97581
7	0.10320	0.51647	0.77419
8	0.23353	0.77419	0.64680
9	0.10320	0.23353	0.97581
10	0.51647	0.77419	0.10320
11	0.64680	0.23353	0.77419
12	0.23353	0.97581	0.10320
13	0.02419	0.35320	0.48353
14	0.02419	0.89680	0.76647
15	0.22581	0.35320	0.76647
16	0.22581	0.89680	0.48353
17	0.48353	0.02419	0.35320
18	0.35320	0.48353	0.02419
19	0.89680	0.48353	0.22581
20	0.76647	0.22581	0.35320
21	0.89680	0.76647	0.02419
22	0.48353	0.22581	0.89680
23	0.35320	0.76647	0.22581
24	0.76647	0.02419	0.89680
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25	0.97581	0.14680	0.01647
26	0.97581	0.60320	0.73353
27	0.77419	0.14680	0.73353
28	0.77419	0.60320	0.01647
29	0.51647	0.47581	0.14680
30	0.64680	0.01647	0.47581
31	0.10320	0.01647	0.27419
32	0.23353	0.27419	0.14680
33	0.10320	0.73353	0.47581
34	0.51647	0.27419	0.60320
35	0.64680	0.73353	0.27419
36	0.23353	0.47581	0.60320
37	0.02419	0.85320	0.98353
38	0.02419	0.39680	0.26647
39	0.22581	0.85320	0.26647
40	0.22581	0.39680	0.98353
41	0.48353	0.52419	0.85320
42	0.35320	0.98353	0.52419
43	0.89680	0.98353	0.72581
44	0.76647	0.72581	0.85320
45	0.89680	0.26647	0.52419
46	0.48353	0.72581	0.39680
47	0.35320	0.26647	0.72581
48	0.76647	0.52419	0.39680
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49	0.47581	0.64680	0.01647
50	0.47581	0.10320	0.73353
51	0.27419	0.64680	0.73353
52	0.27419	0.10320	0.01647
53	0.01647	0.97581	0.14680
54	0.14680	0.51647	0.47581
55	0.60320	0.51647	0.27419
56	0.73353	0.77419	0.14680
57	0.60320	0.23353	0.47581
58	0.01647	0.77419	0.60320
59	0.14680	0.23353	0.27419
60	0.73353	0.97581	0.60320
61	0.52419	0.35320	0.98353
62	0.52419	0.89680	0.26647
63	0.72581	0.35320	0.26647
64	0.72581	0.89680	0.98353
65	0.98353	0.02419	0.85320
66	0.85320	0.48353	0.52419
67	0.39680	0.48353	0.72581
68	0.26647	0.22581	0.85320
69	0.39680	0.76647	0.52419
70	0.98353	0.22581	0.39680
71	0.85320	0.76647	0.72581
72	0.26647	0.02419	0.39680
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73	0.47581	0.14680	0.51647
74	0.47581	0.60320	0.23353
75	0.27419	0.14680	0.23353
76	0.27419	0.60320	0.51647
77	0.01647	0.47581	0.64680
78	0.14680	0.01647	0.97581
79	0.60320	0.01647	0.77419
80	0.73353	0.27419	0.64680
81	0.60320	0.73353	0.97581
82	0.01647	0.27419	0.10320
83	0.14680	0.73353	0.77419
84	0.73353	0.47581	0.10320
85	0.52419	0.85320	0.48353
86	0.52419	0.39680	0.76647
87	0.72581	0.85320	0.76647
88	0.72581	0.39680	0.48353
89	0.98353	0.52419	0.35320
90	0.85320	0.98353	0.02419
91	0.39680	0.98353	0.22581
92	0.26647	0.72581	0.35320
93	0.39680	0.26647	0.02419
94	0.98353	0.72581	0.89680
95	0.85320	0.26647	0.22581
96	0.26647	0.52419	0.89680

Set of atoms in the unit cell related by symmetry with the atom C1:

Atom	x	y	z
1	0.78277	0.78277	0.78277
2	0.78277	0.96723	0.96723
3	0.96723	0.78277	0.96723
4	0.96723	0.96723	0.78277
5	0.21723	0.21723	0.21723
6	0.21723	0.03277	0.03277
7	0.03277	0.21723	0.03277
8	0.03277	0.03277	0.21723
(0,1/2,1/2) + set click here to show and hide
9	0.78277	0.28277	0.28277
10	0.78277	0.46723	0.46723
11	0.96723	0.28277	0.46723
12	0.96723	0.46723	0.28277
13	0.21723	0.71723	0.71723
14	0.21723	0.53277	0.53277
15	0.03277	0.71723	0.53277
16	0.03277	0.53277	0.71723
(1/2,0,1/2) + set click here to show and hide
17	0.28277	0.78277	0.28277
18	0.28277	0.96723	0.46723
19	0.46723	0.78277	0.46723
20	0.46723	0.96723	0.28277
21	0.71723	0.21723	0.71723
22	0.71723	0.03277	0.53277
23	0.53277	0.21723	0.53277
24	0.53277	0.03277	0.71723
(1/2,1/2,0) + set click here to show and hide
25	0.28277	0.28277	0.78277
26	0.28277	0.46723	0.96723
27	0.46723	0.28277	0.96723
28	0.46723	0.46723	0.78277
29	0.71723	0.71723	0.21723
30	0.71723	0.53277	0.03277
31	0.53277	0.71723	0.03277
32	0.53277	0.53277	0.21723

Set of atoms in the unit cell related by symmetry with the atom Cl1:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	16	m_x,m_x,m_x	1.	1.	1.	1.73

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

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

Na₃Co(CO₃)₂Cl (#0.70)

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

Na3Co(CO3)2Cl (#0.70)

Na₃Co(CO₃)₂Cl (#0.70)