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-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
(2/3,1/3,1/3) + set click here to show and hide
7	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
8	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
9	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
10	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
11	y+2/3,-x+y+1/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 1/3 }
12	x-y+2/3,x+1/3,-z+1/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 1/3 }
(1/3,2/3,2/3) + set click here to show and hide
13	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
14	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
15	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
16	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
17	y+1/3,-x+y+2/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 2/3 }
18	x-y+1/3,x+2/3,-z+2/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 2/3 }
(0,0,1/2)' + set click here to show and hide
19	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
20	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
21	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
22	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
23	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
24	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
(2/3,1/3,5/6)' + set click here to show and hide
25	x+2/3,y+1/3,z+5/6,-1	{ 1' \| 2/3 1/3 5/6 }
26	-y+2/3,x-y+1/3,z+5/6,-1	{ 3'⁺₀₀₁ \| 2/3 1/3 5/6 }
27	-x+y+2/3,-x+1/3,z+5/6,-1	{ 3'^-₀₀₁ \| 2/3 1/3 5/6 }
28	-x+2/3,-y+1/3,-z+5/6,-1	{ -1' \| 2/3 1/3 5/6 }
29	y+2/3,-x+y+1/3,-z+5/6,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 5/6 }
30	x-y+2/3,x+1/3,-z+5/6,-1	{ -3'^-₀₀₁ \| 2/3 1/3 5/6 }
(1/3,2/3,1/6)' + set click here to show and hide
31	x+1/3,y+2/3,z+1/6,-1	{ 1' \| 1/3 2/3 1/6 }
32	-y+1/3,x-y+2/3,z+1/6,-1	{ 3'⁺₀₀₁ \| 1/3 2/3 1/6 }
33	-x+y+1/3,-x+2/3,z+1/6,-1	{ 3'^-₀₀₁ \| 1/3 2/3 1/6 }
34	-x+1/3,-y+2/3,-z+1/6,-1	{ -1' \| 1/3 2/3 1/6 }
35	y+1/3,-x+y+2/3,-z+1/6,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 1/6 }
36	x-y+1/3,x+2/3,-z+1/6,-1	{ -3'^-₀₀₁ \| 1/3 2/3 1/6 }

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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	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-y,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	-x,-y,-z,-1	-1'
11	y,-x+y,-z,-1	-3'⁺₀₀₁
12	x-y,x,-z,-1	-3'^-₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00000	0.00000	18	m_x,m_y,m_z	4.42(1)	0.0	0.0	4.42

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.00000	0.00000	0.00000	6
V1_1	V	0.50000	0.00000	0.25000	18
V1_2	V	0.00000	0.00000	0.25000	6
O1_1	O	0.966(1)	0.230(1)	0.034(1)	36
O1_2	O	0.835(1)	0.969(1)	0.164(1)	36

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	4.42000	0.00000	0.00000
2	0.00000	0.50000	0.00000	-m_y,m_x-m_y,m_z	0.00000	4.42000	0.00000
3	0.50000	0.50000	0.00000	-m_x+m_y,-m_x,m_z	-4.42000	-4.42000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
4	0.16667	0.33333	0.33333	m_x,m_y,m_z	4.42000	0.00000	0.00000
5	0.66667	0.83333	0.33333	-m_y,m_x-m_y,m_z	0.00000	4.42000	0.00000
6	0.16667	0.83333	0.33333	-m_x+m_y,-m_x,m_z	-4.42000	-4.42000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.66667	m_x,m_y,m_z	4.42000	0.00000	0.00000
8	0.33333	0.16667	0.66667	-m_y,m_x-m_y,m_z	0.00000	4.42000	0.00000
9	0.83333	0.16667	0.66667	-m_x+m_y,-m_x,m_z	-4.42000	-4.42000	0.00000
(0,0,1/2)' + set click here to show and hide
10	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	-4.42000	0.00000	0.00000
11	0.00000	0.50000	0.50000	m_y,-m_x+m_y,-m_z	0.00000	-4.42000	0.00000
12	0.50000	0.50000	0.50000	m_x-m_y,m_x,-m_z	4.42000	4.42000	0.00000
(2/3,1/3,5/6)' + set click here to show and hide
13	0.16667	0.33333	0.83333	-m_x,-m_y,-m_z	-4.42000	0.00000	0.00000
14	0.66667	0.83333	0.83333	m_y,-m_x+m_y,-m_z	0.00000	-4.42000	0.00000
15	0.16667	0.83333	0.83333	m_x-m_y,m_x,-m_z	4.42000	4.42000	0.00000
(1/3,2/3,1/6)' + set click here to show and hide
16	0.83333	0.66667	0.16667	-m_x,-m_y,-m_z	-4.42000	0.00000	0.00000
17	0.33333	0.16667	0.16667	m_y,-m_x+m_y,-m_z	0.00000	-4.42000	0.00000
18	0.83333	0.16667	0.16667	m_x-m_y,m_x,-m_z	4.42000	4.42000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000
(2/3,1/3,5/6)' + set click here to show and hide
5	0.66667	0.33333	0.83333
(1/3,2/3,1/6)' + set click here to show and hide
6	0.33333	0.66667	0.16667

Set of atoms in the unit cell related by symmetry with the atom V1_1:

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.00000	0.50000	0.25000
3	0.50000	0.50000	0.25000
(2/3,1/3,1/3) + set click here to show and hide
4	0.16667	0.33333	0.58333
5	0.66667	0.83333	0.58333
6	0.16667	0.83333	0.58333
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.91667
8	0.33333	0.16667	0.91667
9	0.83333	0.16667	0.91667
(0,0,1/2)' + set click here to show and hide
10	0.50000	0.00000	0.75000
11	0.00000	0.50000	0.75000
12	0.50000	0.50000	0.75000
(2/3,1/3,5/6)' + set click here to show and hide
13	0.16667	0.33333	0.08333
14	0.66667	0.83333	0.08333
15	0.16667	0.83333	0.08333
(1/3,2/3,1/6)' + set click here to show and hide
16	0.83333	0.66667	0.41667
17	0.33333	0.16667	0.41667
18	0.83333	0.16667	0.41667

Set of atoms in the unit cell related by symmetry with the atom V1_2:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.58333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000
(2/3,1/3,5/6)' + set click here to show and hide
5	0.66667	0.33333	0.08333
(1/3,2/3,1/6)' + set click here to show and hide
6	0.33333	0.66667	0.41667

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

Atom	x	y	z
1	0.96600	0.23000	0.03400
2	0.77000	0.73600	0.03400
3	0.26400	0.03400	0.03400
4	0.03400	0.77000	0.96600
5	0.23000	0.26400	0.96600
6	0.73600	0.96600	0.96600
(2/3,1/3,1/3) + set click here to show and hide
7	0.63267	0.56333	0.36733
8	0.43667	0.06933	0.36733
9	0.93067	0.36733	0.36733
10	0.70067	0.10333	0.29933
11	0.89667	0.59733	0.29933
12	0.40267	0.29933	0.29933
(1/3,2/3,2/3) + set click here to show and hide
13	0.29933	0.89667	0.70067
14	0.10333	0.40267	0.70067
15	0.59733	0.70067	0.70067
16	0.36733	0.43667	0.63267
17	0.56333	0.93067	0.63267
18	0.06933	0.63267	0.63267
(0,0,1/2)' + set click here to show and hide
19	0.96600	0.23000	0.53400
20	0.77000	0.73600	0.53400
21	0.26400	0.03400	0.53400
22	0.03400	0.77000	0.46600
23	0.23000	0.26400	0.46600
24	0.73600	0.96600	0.46600
(2/3,1/3,5/6)' + set click here to show and hide
25	0.63267	0.56333	0.86733
26	0.43667	0.06933	0.86733
27	0.93067	0.36733	0.86733
28	0.70067	0.10333	0.79933
29	0.89667	0.59733	0.79933
30	0.40267	0.29933	0.79933
(1/3,2/3,1/6)' + set click here to show and hide
31	0.29933	0.89667	0.20067
32	0.10333	0.40267	0.20067
33	0.59733	0.70067	0.20067
34	0.36733	0.43667	0.13267
35	0.56333	0.93067	0.13267
36	0.06933	0.63267	0.13267

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

Atom	x	y	z
1	0.83500	0.96900	0.16400
2	0.03100	0.86600	0.16400
3	0.13400	0.16500	0.16400
4	0.16500	0.03100	0.83600
5	0.96900	0.13400	0.83600
6	0.86600	0.83500	0.83600
(2/3,1/3,1/3) + set click here to show and hide
7	0.50167	0.30233	0.49733
8	0.69767	0.19933	0.49733
9	0.80067	0.49833	0.49733
10	0.83167	0.36433	0.16933
11	0.63567	0.46733	0.16933
12	0.53267	0.16833	0.16933
(1/3,2/3,2/3) + set click here to show and hide
13	0.16833	0.63567	0.83067
14	0.36433	0.53267	0.83067
15	0.46733	0.83167	0.83067
16	0.49833	0.69767	0.50267
17	0.30233	0.80067	0.50267
18	0.19933	0.50167	0.50267
(0,0,1/2)' + set click here to show and hide
19	0.83500	0.96900	0.66400
20	0.03100	0.86600	0.66400
21	0.13400	0.16500	0.66400
22	0.16500	0.03100	0.33600
23	0.96900	0.13400	0.33600
24	0.86600	0.83500	0.33600
(2/3,1/3,5/6)' + set click here to show and hide
25	0.50167	0.30233	0.99733
26	0.69767	0.19933	0.99733
27	0.80067	0.49833	0.99733
28	0.83167	0.36433	0.66933
29	0.63567	0.46733	0.66933
30	0.53267	0.16833	0.66933
(1/3,2/3,1/6)' + set click here to show and hide
31	0.16833	0.63567	0.33067
32	0.36433	0.53267	0.33067
33	0.46733	0.83167	0.33067
34	0.49833	0.69767	0.00267
35	0.30233	0.80067	0.00267
36	0.19933	0.50167	0.00267

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00000	0.00000	18	m_x,m_y,m_z	4.42(1)	0.0	0.0	4.42

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mH4+	3	3	special	primary	3

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

CaMn₃V₄O₁₂ (#1.758)

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

CaMn3V4O12 (#1.758)

CaMn₃V₄O₁₂ (#1.758)