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,z,x,+1	{ 3^-₁₁₁ \| 0 }
3	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
4	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
5	-y+1/2,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 1/2 1/2 }
6	-z+1/2,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 1/2 1/2 }
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7	x+1/4,y+1/4,z+1/4,+1	{ 1 \| 1/4 1/4 1/4 }
8	y+1/4,z+1/4,x+1/4,+1	{ 3^-₁₁₁ \| 1/4 1/4 1/4 }
9	z+1/4,x+1/4,y+1/4,+1	{ 3⁺₁₁₁ \| 1/4 1/4 1/4 }
10	-x+3/4,-y+3/4,-z+3/4,+1	{ -1 \| 3/4 3/4 3/4 }
11	-y+3/4,-z+3/4,-x+3/4,+1	{ -3^-₁₁₁ \| 3/4 3/4 3/4 }
12	-z+3/4,-x+3/4,-y+3/4,+1	{ -3⁺₁₁₁ \| 3/4 3/4 3/4 }
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13	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
14	y+1/2,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 1/2 1/2 }
15	z+1/2,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 1/2 1/2 }
16	-x,-y,-z,+1	{ -1 \| 0 }
17	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
18	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
(3/4,3/4,3/4) + set click here to show and hide
19	x+3/4,y+3/4,z+3/4,+1	{ 1 \| 3/4 3/4 3/4 }
20	y+3/4,z+3/4,x+3/4,+1	{ 3^-₁₁₁ \| 3/4 3/4 3/4 }
21	z+3/4,x+3/4,y+3/4,+1	{ 3⁺₁₁₁ \| 3/4 3/4 3/4 }
22	-x+1/4,-y+1/4,-z+1/4,+1	{ -1 \| 1/4 1/4 1/4 }
23	-y+1/4,-z+1/4,-x+1/4,+1	{ -3^-₁₁₁ \| 1/4 1/4 1/4 }
24	-z+1/4,-x+1/4,-y+1/4,+1	{ -3⁺₁₁₁ \| 1/4 1/4 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,z,x,+1	3^-₁₁₁
3	z,x,y,+1	3⁺₁₁₁
4	-x,-y,-z,+1	-1
5	-y,-z,-x,+1	-3^-₁₁₁
6	-z,-x,-y,+1	-3⁺₁₁₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.25000	0.50000	0.50000	24	m_x,m_y,m_z	3.78(1)	0.0	0.0	3.78
Fe1_2	Fe	0.75000	0.50000	0.00000	24	m_x,m_y,m_z	-3.78(1)	0.0	0.0	3.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1_1	Ca	0.75000	0.75000	0.75000	4
Ca1_2	Ca	0.25000	0.75000	0.25000	12
Ti1_1	Ti	0.62500	0.62500	0.62500	4
Ti1_2	Ti	0.12500	0.62500	0.12500	12
Ti1_3	Ti	0.87500	0.12500	0.12500	24
Ti1_4	Ti	0.37500	0.12500	0.62500	24
O1_1	O	0.00000	0.15050	0.09530	24
O1_2	O	0.00000	0.65050	0.59530	24
O1_3	O	0.50000	0.15050	0.59530	24
O1_4	O	0.50000	0.65050	0.09530	24
O1_5	O	0.00000	0.15050	-0.09530	24
O1_6	O	0.00000	0.65050	0.40470	24
O1_7	O	0.50000	0.15050	0.40470	24
O1_8	O	0.50000	0.65050	-0.09530	24

[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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.50000	m_x,m_y,m_z	3.78000	0.00000	0.00000
2	0.50000	0.50000	0.25000	m_y,m_z,m_x	0.00000	0.00000	3.78000
3	0.50000	0.25000	0.50000	m_z,m_x,m_y	0.00000	3.78000	0.00000
4	0.25000	0.00000	0.00000	m_x,m_y,m_z	3.78000	0.00000	0.00000
5	0.00000	0.00000	0.25000	m_y,m_z,m_x	0.00000	0.00000	3.78000
6	0.00000	0.25000	0.00000	m_z,m_x,m_y	0.00000	3.78000	0.00000
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7	0.50000	0.75000	0.75000	m_x,m_y,m_z	3.78000	0.00000	0.00000
8	0.75000	0.75000	0.50000	m_y,m_z,m_x	0.00000	0.00000	3.78000
9	0.75000	0.50000	0.75000	m_z,m_x,m_y	0.00000	3.78000	0.00000
10	0.50000	0.25000	0.25000	m_x,m_y,m_z	3.78000	0.00000	0.00000
11	0.25000	0.25000	0.50000	m_y,m_z,m_x	0.00000	0.00000	3.78000
12	0.25000	0.50000	0.25000	m_z,m_x,m_y	0.00000	3.78000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.75000	0.00000	0.00000	m_x,m_y,m_z	3.78000	0.00000	0.00000
14	0.00000	0.00000	0.75000	m_y,m_z,m_x	0.00000	0.00000	3.78000
15	0.00000	0.75000	0.00000	m_z,m_x,m_y	0.00000	3.78000	0.00000
16	0.75000	0.50000	0.50000	m_x,m_y,m_z	3.78000	0.00000	0.00000
17	0.50000	0.50000	0.75000	m_y,m_z,m_x	0.00000	0.00000	3.78000
18	0.50000	0.75000	0.50000	m_z,m_x,m_y	0.00000	3.78000	0.00000
(3/4,3/4,3/4) + set click here to show and hide
19	0.00000	0.25000	0.25000	m_x,m_y,m_z	3.78000	0.00000	0.00000
20	0.25000	0.25000	0.00000	m_y,m_z,m_x	0.00000	0.00000	3.78000
21	0.25000	0.00000	0.25000	m_z,m_x,m_y	0.00000	3.78000	0.00000
22	0.00000	0.75000	0.75000	m_x,m_y,m_z	3.78000	0.00000	0.00000
23	0.75000	0.75000	0.00000	m_y,m_z,m_x	0.00000	0.00000	3.78000
24	0.75000	0.00000	0.75000	m_z,m_x,m_y	0.00000	3.78000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.50000	0.00000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
2	0.50000	0.00000	0.75000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
3	0.00000	0.75000	0.50000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
4	0.75000	0.00000	0.50000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
5	0.00000	0.50000	0.75000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
6	0.50000	0.75000	0.00000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(1/4,1/4,1/4) + set click here to show and hide
7	0.00000	0.75000	0.25000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
8	0.75000	0.25000	0.00000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
9	0.25000	0.00000	0.75000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
10	0.00000	0.25000	0.75000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
11	0.25000	0.75000	0.00000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
12	0.75000	0.00000	0.25000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.25000	0.00000	0.50000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
14	0.00000	0.50000	0.25000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
15	0.50000	0.25000	0.00000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
16	0.25000	0.50000	0.00000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
17	0.50000	0.00000	0.25000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
18	0.00000	0.25000	0.50000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(3/4,3/4,3/4) + set click here to show and hide
19	0.50000	0.25000	0.75000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
20	0.25000	0.75000	0.50000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
21	0.75000	0.50000	0.25000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
22	0.50000	0.75000	0.25000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
23	0.75000	0.25000	0.50000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
24	0.25000	0.50000	0.75000	m_z,m_x,m_y	0.00000	-3.78000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

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

Set of atoms in the unit cell related by symmetry with the atom Ti1_1:

Atom	x	y	z
1	0.62500	0.62500	0.62500
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2	0.87500	0.87500	0.87500
(1/2,1/2,1/2) + set click here to show and hide
3	0.12500	0.12500	0.12500
(3/4,3/4,3/4) + set click here to show and hide
4	0.37500	0.37500	0.37500

Set of atoms in the unit cell related by symmetry with the atom Ti1_2:

Atom	x	y	z
1	0.12500	0.62500	0.12500
2	0.62500	0.12500	0.12500
3	0.12500	0.12500	0.62500
(1/4,1/4,1/4) + set click here to show and hide
4	0.37500	0.87500	0.37500
5	0.87500	0.37500	0.37500
6	0.37500	0.37500	0.87500
(1/2,1/2,1/2) + set click here to show and hide
7	0.62500	0.12500	0.62500
8	0.12500	0.62500	0.62500
9	0.62500	0.62500	0.12500
(3/4,3/4,3/4) + set click here to show and hide
10	0.87500	0.37500	0.87500
11	0.37500	0.87500	0.87500
12	0.87500	0.87500	0.37500

Set of atoms in the unit cell related by symmetry with the atom Ti1_3:

Atom	x	y	z
1	0.87500	0.12500	0.12500
2	0.12500	0.12500	0.87500
3	0.12500	0.87500	0.12500
4	0.62500	0.37500	0.37500
5	0.37500	0.37500	0.62500
6	0.37500	0.62500	0.37500
(1/4,1/4,1/4) + set click here to show and hide
7	0.12500	0.37500	0.37500
8	0.37500	0.37500	0.12500
9	0.37500	0.12500	0.37500
10	0.87500	0.62500	0.62500
11	0.62500	0.62500	0.87500
12	0.62500	0.87500	0.62500
(1/2,1/2,1/2) + set click here to show and hide
13	0.37500	0.62500	0.62500
14	0.62500	0.62500	0.37500
15	0.62500	0.37500	0.62500
16	0.12500	0.87500	0.87500
17	0.87500	0.87500	0.12500
18	0.87500	0.12500	0.87500
(3/4,3/4,3/4) + set click here to show and hide
19	0.62500	0.87500	0.87500
20	0.87500	0.87500	0.62500
21	0.87500	0.62500	0.87500
22	0.37500	0.12500	0.12500
23	0.12500	0.12500	0.37500
24	0.12500	0.37500	0.12500

Set of atoms in the unit cell related by symmetry with the atom Ti1_4:

Atom	x	y	z
1	0.37500	0.12500	0.62500
2	0.12500	0.62500	0.37500
3	0.62500	0.37500	0.12500
4	0.12500	0.37500	0.87500
5	0.37500	0.87500	0.12500
6	0.87500	0.12500	0.37500
(1/4,1/4,1/4) + set click here to show and hide
7	0.62500	0.37500	0.87500
8	0.37500	0.87500	0.62500
9	0.87500	0.62500	0.37500
10	0.37500	0.62500	0.12500
11	0.62500	0.12500	0.37500
12	0.12500	0.37500	0.62500
(1/2,1/2,1/2) + set click here to show and hide
13	0.87500	0.62500	0.12500
14	0.62500	0.12500	0.87500
15	0.12500	0.87500	0.62500
16	0.62500	0.87500	0.37500
17	0.87500	0.37500	0.62500
18	0.37500	0.62500	0.87500
(3/4,3/4,3/4) + set click here to show and hide
19	0.12500	0.87500	0.37500
20	0.87500	0.37500	0.12500
21	0.37500	0.12500	0.87500
22	0.87500	0.12500	0.62500
23	0.12500	0.62500	0.87500
24	0.62500	0.87500	0.12500

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

Atom	x	y	z
1	0.00000	0.15050	0.09530
2	0.15050	0.09530	0.00000
3	0.09530	0.00000	0.15050
4	0.50000	0.34950	0.40470
5	0.34950	0.40470	0.50000
6	0.40470	0.50000	0.34950
(1/4,1/4,1/4) + set click here to show and hide
7	0.25000	0.40050	0.34530
8	0.40050	0.34530	0.25000
9	0.34530	0.25000	0.40050
10	0.75000	0.59950	0.65470
11	0.59950	0.65470	0.75000
12	0.65470	0.75000	0.59950
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.65050	0.59530
14	0.65050	0.59530	0.50000
15	0.59530	0.50000	0.65050
16	0.00000	0.84950	0.90470
17	0.84950	0.90470	0.00000
18	0.90470	0.00000	0.84950
(3/4,3/4,3/4) + set click here to show and hide
19	0.75000	0.90050	0.84530
20	0.90050	0.84530	0.75000
21	0.84530	0.75000	0.90050
22	0.25000	0.09950	0.15470
23	0.09950	0.15470	0.25000
24	0.15470	0.25000	0.09950

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

Atom	x	y	z
1	0.00000	0.65050	0.59530
2	0.65050	0.59530	0.00000
3	0.59530	0.00000	0.65050
4	0.50000	0.84950	0.90470
5	0.84950	0.90470	0.50000
6	0.90470	0.50000	0.84950
(1/4,1/4,1/4) + set click here to show and hide
7	0.25000	0.90050	0.84530
8	0.90050	0.84530	0.25000
9	0.84530	0.25000	0.90050
10	0.75000	0.09950	0.15470
11	0.09950	0.15470	0.75000
12	0.15470	0.75000	0.09950
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.15050	0.09530
14	0.15050	0.09530	0.50000
15	0.09530	0.50000	0.15050
16	0.00000	0.34950	0.40470
17	0.34950	0.40470	0.00000
18	0.40470	0.00000	0.34950
(3/4,3/4,3/4) + set click here to show and hide
19	0.75000	0.40050	0.34530
20	0.40050	0.34530	0.75000
21	0.34530	0.75000	0.40050
22	0.25000	0.59950	0.65470
23	0.59950	0.65470	0.25000
24	0.65470	0.25000	0.59950

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.50000	0.15050	0.59530
2	0.15050	0.59530	0.50000
3	0.59530	0.50000	0.15050
4	0.00000	0.34950	0.90470
5	0.34950	0.90470	0.00000
6	0.90470	0.00000	0.34950
(1/4,1/4,1/4) + set click here to show and hide
7	0.75000	0.40050	0.84530
8	0.40050	0.84530	0.75000
9	0.84530	0.75000	0.40050
10	0.25000	0.59950	0.15470
11	0.59950	0.15470	0.25000
12	0.15470	0.25000	0.59950
(1/2,1/2,1/2) + set click here to show and hide
13	0.00000	0.65050	0.09530
14	0.65050	0.09530	0.00000
15	0.09530	0.00000	0.65050
16	0.50000	0.84950	0.40470
17	0.84950	0.40470	0.50000
18	0.40470	0.50000	0.84950
(3/4,3/4,3/4) + set click here to show and hide
19	0.25000	0.90050	0.34530
20	0.90050	0.34530	0.25000
21	0.34530	0.25000	0.90050
22	0.75000	0.09950	0.65470
23	0.09950	0.65470	0.75000
24	0.65470	0.75000	0.09950

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.50000	0.65050	0.09530
2	0.65050	0.09530	0.50000
3	0.09530	0.50000	0.65050
4	0.00000	0.84950	0.40470
5	0.84950	0.40470	0.00000
6	0.40470	0.00000	0.84950
(1/4,1/4,1/4) + set click here to show and hide
7	0.75000	0.90050	0.34530
8	0.90050	0.34530	0.75000
9	0.34530	0.75000	0.90050
10	0.25000	0.09950	0.65470
11	0.09950	0.65470	0.25000
12	0.65470	0.25000	0.09950
(1/2,1/2,1/2) + set click here to show and hide
13	0.00000	0.15050	0.59530
14	0.15050	0.59530	0.00000
15	0.59530	0.00000	0.15050
16	0.50000	0.34950	0.90470
17	0.34950	0.90470	0.50000
18	0.90470	0.50000	0.34950
(3/4,3/4,3/4) + set click here to show and hide
19	0.25000	0.40050	0.84530
20	0.40050	0.84530	0.25000
21	0.84530	0.25000	0.40050
22	0.75000	0.59950	0.15470
23	0.59950	0.15470	0.75000
24	0.15470	0.75000	0.59950

Set of atoms in the unit cell related by symmetry with the atom O1_5:

Atom	x	y	z
1	0.00000	0.15050	0.90470
2	0.15050	0.90470	0.00000
3	0.90470	0.00000	0.15050
4	0.50000	0.34950	0.59530
5	0.34950	0.59530	0.50000
6	0.59530	0.50000	0.34950
(1/4,1/4,1/4) + set click here to show and hide
7	0.25000	0.40050	0.15470
8	0.40050	0.15470	0.25000
9	0.15470	0.25000	0.40050
10	0.75000	0.59950	0.84530
11	0.59950	0.84530	0.75000
12	0.84530	0.75000	0.59950
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.65050	0.40470
14	0.65050	0.40470	0.50000
15	0.40470	0.50000	0.65050
16	0.00000	0.84950	0.09530
17	0.84950	0.09530	0.00000
18	0.09530	0.00000	0.84950
(3/4,3/4,3/4) + set click here to show and hide
19	0.75000	0.90050	0.65470
20	0.90050	0.65470	0.75000
21	0.65470	0.75000	0.90050
22	0.25000	0.09950	0.34530
23	0.09950	0.34530	0.25000
24	0.34530	0.25000	0.09950

Set of atoms in the unit cell related by symmetry with the atom O1_6:

Atom	x	y	z
1	0.00000	0.65050	0.40470
2	0.65050	0.40470	0.00000
3	0.40470	0.00000	0.65050
4	0.50000	0.84950	0.09530
5	0.84950	0.09530	0.50000
6	0.09530	0.50000	0.84950
(1/4,1/4,1/4) + set click here to show and hide
7	0.25000	0.90050	0.65470
8	0.90050	0.65470	0.25000
9	0.65470	0.25000	0.90050
10	0.75000	0.09950	0.34530
11	0.09950	0.34530	0.75000
12	0.34530	0.75000	0.09950
(1/2,1/2,1/2) + set click here to show and hide
13	0.50000	0.15050	0.90470
14	0.15050	0.90470	0.50000
15	0.90470	0.50000	0.15050
16	0.00000	0.34950	0.59530
17	0.34950	0.59530	0.00000
18	0.59530	0.00000	0.34950
(3/4,3/4,3/4) + set click here to show and hide
19	0.75000	0.40050	0.15470
20	0.40050	0.15470	0.75000
21	0.15470	0.75000	0.40050
22	0.25000	0.59950	0.84530
23	0.59950	0.84530	0.25000
24	0.84530	0.25000	0.59950

Set of atoms in the unit cell related by symmetry with the atom O1_7:

Atom	x	y	z
1	0.50000	0.15050	0.40470
2	0.15050	0.40470	0.50000
3	0.40470	0.50000	0.15050
4	0.00000	0.34950	0.09530
5	0.34950	0.09530	0.00000
6	0.09530	0.00000	0.34950
(1/4,1/4,1/4) + set click here to show and hide
7	0.75000	0.40050	0.65470
8	0.40050	0.65470	0.75000
9	0.65470	0.75000	0.40050
10	0.25000	0.59950	0.34530
11	0.59950	0.34530	0.25000
12	0.34530	0.25000	0.59950
(1/2,1/2,1/2) + set click here to show and hide
13	0.00000	0.65050	0.90470
14	0.65050	0.90470	0.00000
15	0.90470	0.00000	0.65050
16	0.50000	0.84950	0.59530
17	0.84950	0.59530	0.50000
18	0.59530	0.50000	0.84950
(3/4,3/4,3/4) + set click here to show and hide
19	0.25000	0.90050	0.15470
20	0.90050	0.15470	0.25000
21	0.15470	0.25000	0.90050
22	0.75000	0.09950	0.84530
23	0.09950	0.84530	0.75000
24	0.84530	0.75000	0.09950

Set of atoms in the unit cell related by symmetry with the atom O1_8:

Atom	x	y	z
1	0.50000	0.65050	0.90470
2	0.65050	0.90470	0.50000
3	0.90470	0.50000	0.65050
4	0.00000	0.84950	0.59530
5	0.84950	0.59530	0.00000
6	0.59530	0.00000	0.84950
(1/4,1/4,1/4) + set click here to show and hide
7	0.75000	0.90050	0.15470
8	0.90050	0.15470	0.75000
9	0.15470	0.75000	0.90050
10	0.25000	0.09950	0.84530
11	0.09950	0.84530	0.25000
12	0.84530	0.25000	0.09950
(1/2,1/2,1/2) + set click here to show and hide
13	0.00000	0.15050	0.40470
14	0.15050	0.40470	0.00000
15	0.40470	0.00000	0.15050
16	0.50000	0.34950	0.09530
17	0.34950	0.09530	0.50000
18	0.09530	0.50000	0.34950
(3/4,3/4,3/4) + set click here to show and hide
19	0.25000	0.40050	0.65470
20	0.40050	0.65470	0.25000
21	0.65470	0.25000	0.40050
22	0.75000	0.59950	0.34530
23	0.59950	0.34530	0.75000
24	0.34530	0.75000	0.59950

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.25000	0.50000	0.50000	24	m_x,m_y,m_z	3.78(1)	0.0	0.0	3.78
Fe1_2	Fe	0.75000	0.50000	0.00000	24	m_x,m_y,m_z	-3.78(1)	0.0	0.0	3.78

[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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.50000	m_x,m_y,m_z	3.78000	0.00000	0.00000
2	0.50000	0.50000	0.25000	m_y,m_z,m_x	0.00000	0.00000	3.78000
3	0.50000	0.25000	0.50000	m_z,m_x,m_y	0.00000	3.78000	0.00000
4	0.25000	0.00000	0.00000	m_x,m_y,m_z	3.78000	0.00000	0.00000
5	0.00000	0.00000	0.25000	m_y,m_z,m_x	0.00000	0.00000	3.78000
6	0.00000	0.25000	0.00000	m_z,m_x,m_y	0.00000	3.78000	0.00000
(1/4,1/4,1/4) + set click here to show and hide
7	0.50000	0.75000	0.75000	m_x,m_y,m_z	3.78000	0.00000	0.00000
8	0.75000	0.75000	0.50000	m_y,m_z,m_x	0.00000	0.00000	3.78000
9	0.75000	0.50000	0.75000	m_z,m_x,m_y	0.00000	3.78000	0.00000
10	0.50000	0.25000	0.25000	m_x,m_y,m_z	3.78000	0.00000	0.00000
11	0.25000	0.25000	0.50000	m_y,m_z,m_x	0.00000	0.00000	3.78000
12	0.25000	0.50000	0.25000	m_z,m_x,m_y	0.00000	3.78000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.75000	0.00000	0.00000	m_x,m_y,m_z	3.78000	0.00000	0.00000
14	0.00000	0.00000	0.75000	m_y,m_z,m_x	0.00000	0.00000	3.78000
15	0.00000	0.75000	0.00000	m_z,m_x,m_y	0.00000	3.78000	0.00000
16	0.75000	0.50000	0.50000	m_x,m_y,m_z	3.78000	0.00000	0.00000
17	0.50000	0.50000	0.75000	m_y,m_z,m_x	0.00000	0.00000	3.78000
18	0.50000	0.75000	0.50000	m_z,m_x,m_y	0.00000	3.78000	0.00000
(3/4,3/4,3/4) + set click here to show and hide
19	0.00000	0.25000	0.25000	m_x,m_y,m_z	3.78000	0.00000	0.00000
20	0.25000	0.25000	0.00000	m_y,m_z,m_x	0.00000	0.00000	3.78000
21	0.25000	0.00000	0.25000	m_z,m_x,m_y	0.00000	3.78000	0.00000
22	0.00000	0.75000	0.75000	m_x,m_y,m_z	3.78000	0.00000	0.00000
23	0.75000	0.75000	0.00000	m_y,m_z,m_x	0.00000	0.00000	3.78000
24	0.75000	0.00000	0.75000	m_z,m_x,m_y	0.00000	3.78000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.50000	0.00000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
2	0.50000	0.00000	0.75000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
3	0.00000	0.75000	0.50000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
4	0.75000	0.00000	0.50000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
5	0.00000	0.50000	0.75000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
6	0.50000	0.75000	0.00000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(1/4,1/4,1/4) + set click here to show and hide
7	0.00000	0.75000	0.25000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
8	0.75000	0.25000	0.00000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
9	0.25000	0.00000	0.75000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
10	0.00000	0.25000	0.75000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
11	0.25000	0.75000	0.00000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
12	0.75000	0.00000	0.25000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.25000	0.00000	0.50000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
14	0.00000	0.50000	0.25000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
15	0.50000	0.25000	0.00000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
16	0.25000	0.50000	0.00000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
17	0.50000	0.00000	0.25000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
18	0.00000	0.25000	0.50000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
(3/4,3/4,3/4) + set click here to show and hide
19	0.50000	0.25000	0.75000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
20	0.25000	0.75000	0.50000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
21	0.75000	0.50000	0.25000	m_z,m_x,m_y	0.00000	-3.78000	0.00000
22	0.50000	0.75000	0.25000	m_x,m_y,m_z	-3.78000	0.00000	0.00000
23	0.75000	0.25000	0.50000	m_y,m_z,m_x	0.00000	0.00000	-3.78000
24	0.25000	0.50000	0.75000	m_z,m_x,m_y	0.00000	-3.78000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mN1+	6	1	special-2	primary	1
mN2+	6	1	special-2	secondary	2	no
mGM4+	3	3	special	secondary	3	no

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

CaFe₃Ti₄O₁₂ (#3.24)

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

CaFe3Ti4O12 (#3.24)

CaFe₃Ti₄O₁₂ (#3.24)