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

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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	0.895	0.895	0.895	1.55

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.40170	0.12500	0.12500	48
C1	C	0.78270	0.78270	0.78270	32
O1	O	0.97560	0.64720	0.51650	96
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	0.89500	0.89500	0.89500
2	0.00000	0.75000	0.75000	m_x,-m_x,-m_x	0.89500	-0.89500	-0.89500
3	0.75000	0.00000	0.75000	-m_x,m_x,-m_x	-0.89500	0.89500	-0.89500
4	0.75000	0.75000	0.00000	-m_x,-m_x,m_x	-0.89500	-0.89500	0.89500
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5	0.00000	0.50000	0.50000	m_x,m_x,m_x	0.89500	0.89500	0.89500
6	0.00000	0.25000	0.25000	m_x,-m_x,-m_x	0.89500	-0.89500	-0.89500
7	0.75000	0.50000	0.25000	-m_x,m_x,-m_x	-0.89500	0.89500	-0.89500
8	0.75000	0.25000	0.50000	-m_x,-m_x,m_x	-0.89500	-0.89500	0.89500
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9	0.50000	0.00000	0.50000	m_x,m_x,m_x	0.89500	0.89500	0.89500
10	0.50000	0.75000	0.25000	m_x,-m_x,-m_x	0.89500	-0.89500	-0.89500
11	0.25000	0.00000	0.25000	-m_x,m_x,-m_x	-0.89500	0.89500	-0.89500
12	0.25000	0.75000	0.50000	-m_x,-m_x,m_x	-0.89500	-0.89500	0.89500
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13	0.50000	0.50000	0.00000	m_x,m_x,m_x	0.89500	0.89500	0.89500
14	0.50000	0.25000	0.75000	m_x,-m_x,-m_x	0.89500	-0.89500	-0.89500
15	0.25000	0.50000	0.75000	-m_x,m_x,-m_x	-0.89500	0.89500	-0.89500
16	0.25000	0.25000	0.00000	-m_x,-m_x,m_x	-0.89500	-0.89500	0.89500

Non-magnetic atoms:

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

Atom	x	y	z
1	0.40170	0.12500	0.12500
2	0.34830	0.12500	0.62500
3	0.12500	0.40170	0.12500
4	0.12500	0.12500	0.40170
5	0.62500	0.12500	0.34830
6	0.62500	0.34830	0.12500
7	0.59830	0.87500	0.87500
8	0.65170	0.87500	0.37500
9	0.87500	0.59830	0.87500
10	0.87500	0.87500	0.59830
11	0.37500	0.87500	0.65170
12	0.37500	0.65170	0.87500
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13	0.40170	0.62500	0.62500
14	0.34830	0.62500	0.12500
15	0.12500	0.90170	0.62500
16	0.12500	0.62500	0.90170
17	0.62500	0.62500	0.84830
18	0.62500	0.84830	0.62500
19	0.59830	0.37500	0.37500
20	0.65170	0.37500	0.87500
21	0.87500	0.09830	0.37500
22	0.87500	0.37500	0.09830
23	0.37500	0.37500	0.15170
24	0.37500	0.15170	0.37500
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25	0.90170	0.12500	0.62500
26	0.84830	0.12500	0.12500
27	0.62500	0.40170	0.62500
28	0.62500	0.12500	0.90170
29	0.12500	0.12500	0.84830
30	0.12500	0.34830	0.62500
31	0.09830	0.87500	0.37500
32	0.15170	0.87500	0.87500
33	0.37500	0.59830	0.37500
34	0.37500	0.87500	0.09830
35	0.87500	0.87500	0.15170
36	0.87500	0.65170	0.37500
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37	0.90170	0.62500	0.12500
38	0.84830	0.62500	0.62500
39	0.62500	0.90170	0.12500
40	0.62500	0.62500	0.40170
41	0.12500	0.62500	0.34830
42	0.12500	0.84830	0.12500
43	0.09830	0.37500	0.87500
44	0.15170	0.37500	0.37500
45	0.37500	0.09830	0.87500
46	0.37500	0.37500	0.59830
47	0.87500	0.37500	0.65170
48	0.87500	0.15170	0.87500

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

Atom	x	y	z
1	0.78270	0.78270	0.78270
2	0.78270	0.96730	0.96730
3	0.96730	0.78270	0.96730
4	0.96730	0.96730	0.78270
5	0.21730	0.21730	0.21730
6	0.21730	0.03270	0.03270
7	0.03270	0.21730	0.03270
8	0.03270	0.03270	0.21730
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9	0.78270	0.28270	0.28270
10	0.78270	0.46730	0.46730
11	0.96730	0.28270	0.46730
12	0.96730	0.46730	0.28270
13	0.21730	0.71730	0.71730
14	0.21730	0.53270	0.53270
15	0.03270	0.71730	0.53270
16	0.03270	0.53270	0.71730
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17	0.28270	0.78270	0.28270
18	0.28270	0.96730	0.46730
19	0.46730	0.78270	0.46730
20	0.46730	0.96730	0.28270
21	0.71730	0.21730	0.71730
22	0.71730	0.03270	0.53270
23	0.53270	0.21730	0.53270
24	0.53270	0.03270	0.71730
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25	0.28270	0.28270	0.78270
26	0.28270	0.46730	0.96730
27	0.46730	0.28270	0.96730
28	0.46730	0.46730	0.78270
29	0.71730	0.71730	0.21730
30	0.71730	0.53270	0.03270
31	0.53270	0.71730	0.03270
32	0.53270	0.53270	0.21730

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

Atom	x	y	z
1	0.97560	0.64720	0.51650
2	0.97560	0.10280	0.23350
3	0.77440	0.64720	0.23350
4	0.77440	0.10280	0.51650
5	0.51650	0.97560	0.64720
6	0.64720	0.51650	0.97560
7	0.10280	0.51650	0.77440
8	0.23350	0.77440	0.64720
9	0.10280	0.23350	0.97560
10	0.51650	0.77440	0.10280
11	0.64720	0.23350	0.77440
12	0.23350	0.97560	0.10280
13	0.02440	0.35280	0.48350
14	0.02440	0.89720	0.76650
15	0.22560	0.35280	0.76650
16	0.22560	0.89720	0.48350
17	0.48350	0.02440	0.35280
18	0.35280	0.48350	0.02440
19	0.89720	0.48350	0.22560
20	0.76650	0.22560	0.35280
21	0.89720	0.76650	0.02440
22	0.48350	0.22560	0.89720
23	0.35280	0.76650	0.22560
24	0.76650	0.02440	0.89720
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25	0.97560	0.14720	0.01650
26	0.97560	0.60280	0.73350
27	0.77440	0.14720	0.73350
28	0.77440	0.60280	0.01650
29	0.51650	0.47560	0.14720
30	0.64720	0.01650	0.47560
31	0.10280	0.01650	0.27440
32	0.23350	0.27440	0.14720
33	0.10280	0.73350	0.47560
34	0.51650	0.27440	0.60280
35	0.64720	0.73350	0.27440
36	0.23350	0.47560	0.60280
37	0.02440	0.85280	0.98350
38	0.02440	0.39720	0.26650
39	0.22560	0.85280	0.26650
40	0.22560	0.39720	0.98350
41	0.48350	0.52440	0.85280
42	0.35280	0.98350	0.52440
43	0.89720	0.98350	0.72560
44	0.76650	0.72560	0.85280
45	0.89720	0.26650	0.52440
46	0.48350	0.72560	0.39720
47	0.35280	0.26650	0.72560
48	0.76650	0.52440	0.39720
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49	0.47560	0.64720	0.01650
50	0.47560	0.10280	0.73350
51	0.27440	0.64720	0.73350
52	0.27440	0.10280	0.01650
53	0.01650	0.97560	0.14720
54	0.14720	0.51650	0.47560
55	0.60280	0.51650	0.27440
56	0.73350	0.77440	0.14720
57	0.60280	0.23350	0.47560
58	0.01650	0.77440	0.60280
59	0.14720	0.23350	0.27440
60	0.73350	0.97560	0.60280
61	0.52440	0.35280	0.98350
62	0.52440	0.89720	0.26650
63	0.72560	0.35280	0.26650
64	0.72560	0.89720	0.98350
65	0.98350	0.02440	0.85280
66	0.85280	0.48350	0.52440
67	0.39720	0.48350	0.72560
68	0.26650	0.22560	0.85280
69	0.39720	0.76650	0.52440
70	0.98350	0.22560	0.39720
71	0.85280	0.76650	0.72560
72	0.26650	0.02440	0.39720
(1/2,1/2,0) + set click here to show and hide
73	0.47560	0.14720	0.51650
74	0.47560	0.60280	0.23350
75	0.27440	0.14720	0.23350
76	0.27440	0.60280	0.51650
77	0.01650	0.47560	0.64720
78	0.14720	0.01650	0.97560
79	0.60280	0.01650	0.77440
80	0.73350	0.27440	0.64720
81	0.60280	0.73350	0.97560
82	0.01650	0.27440	0.10280
83	0.14720	0.73350	0.77440
84	0.73350	0.47560	0.10280
85	0.52440	0.85280	0.48350
86	0.52440	0.39720	0.76650
87	0.72560	0.85280	0.76650
88	0.72560	0.39720	0.48350
89	0.98350	0.52440	0.35280
90	0.85280	0.98350	0.02440
91	0.39720	0.98350	0.22560
92	0.26650	0.72560	0.35280
93	0.39720	0.26650	0.02440
94	0.98350	0.72560	0.89720
95	0.85280	0.26650	0.22560
96	0.26650	0.52440	0.89720

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

[Hide]

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	0.895	0.895	0.895	1.55

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	1

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

Na₃Co(CO₃)₂Cl (#1.834)

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

Na3Co(CO3)2Cl (#1.834)

Na₃Co(CO₃)₂Cl (#1.834)