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	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
6	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
7	-z,-y,-x,-1	{ 2'_-101 \| 0 }
8	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
9	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
10	z,y,x,-1	{ m'_-101 \| 0 }
11	x,z,y,-1	{ m'_01-1 \| 0 }
12	y,x,z,-1	{ m'_1-10 \| 0 }
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13	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
14	z,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 0 1/2 1/2 }
15	y,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 0 1/2 1/2 }
16	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
17	-z,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 0 1/2 1/2 }
18	-y,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 0 1/2 1/2 }
19	-z,-y+1/2,-x+1/2,-1	{ 2'_-101 \| 0 1/2 1/2 }
20	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
21	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
22	z,y+1/2,x+1/2,-1	{ m'_-101 \| 0 1/2 1/2 }
23	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
24	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
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25	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
26	z+1/2,x,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 0 1/2 }
27	y+1/2,z,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 0 1/2 }
28	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
29	-z+1/2,-x,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 0 1/2 }
30	-y+1/2,-z,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 0 1/2 }
31	-z+1/2,-y,-x+1/2,-1	{ 2'_-101 \| 1/2 0 1/2 }
32	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
33	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
34	z+1/2,y,x+1/2,-1	{ m'_-101 \| 1/2 0 1/2 }
35	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
36	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
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37	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
38	z+1/2,x+1/2,y,+1	{ 3⁺₁₁₁ \| 1/2 1/2 0 }
39	y+1/2,z+1/2,x,+1	{ 3^-₁₁₁ \| 1/2 1/2 0 }
40	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
41	-z+1/2,-x+1/2,-y,+1	{ -3⁺₁₁₁ \| 1/2 1/2 0 }
42	-y+1/2,-z+1/2,-x,+1	{ -3^-₁₁₁ \| 1/2 1/2 0 }
43	-z+1/2,-y+1/2,-x,-1	{ 2'_-101 \| 1/2 1/2 0 }
44	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
45	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
46	z+1/2,y+1/2,x,-1	{ m'_-101 \| 1/2 1/2 0 }
47	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
48	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
4	-x,-y,-z,+1	-1
5	-z,-x,-y,+1	-3⁺₁₁₁
6	-y,-z,-x,+1	-3^-₁₁₁
7	-z,-y,-x,-1	2'_-101
8	-x,-z,-y,-1	2'_01-1
9	-y,-x,-z,-1	2'_1-10
10	z,y,x,-1	m'_-101
11	x,z,y,-1	m'_01-1
12	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb1_1	Yb	0.50000	0.50000	0.50000	4	m_x,m_x,m_x	0.33	0.33	0.33	0.57
Yb1_2	Yb	0.25000	0.75000	0.00000	12	m_x,m_x,m_z	0.33	0.33	0.33	0.57
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_x,m_x	0.254	0.254	0.254	0.44
Ir1_2	Ir	0.75000	0.25000	0.50000	12	m_x,m_x,m_z	-0.254	-0.254	0.254	0.44

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.37500	0.37500	0.37500	8
O2_1	O	0.34000	0.12500	0.12500	24
O2_2	O	0.41000	0.12500	0.62500	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 Yb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_x	0.33000	0.33000	0.33000
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2	0.50000	0.00000	0.00000	m_x,m_x,m_x	0.33000	0.33000	0.33000
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3	0.00000	0.50000	0.00000	m_x,m_x,m_x	0.33000	0.33000	0.33000
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4	0.00000	0.00000	0.50000	m_x,m_x,m_x	0.33000	0.33000	0.33000

Set of atoms in the unit cell related by symmetry with the magnetic atom Yb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.00000	m_x,m_x,m_z	0.33000	0.33000	0.33000
2	0.00000	0.25000	0.75000	m_z,m_x,m_x	0.33000	0.33000	0.33000
3	0.75000	0.00000	0.25000	m_x,m_z,m_x	0.33000	0.33000	0.33000
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4	0.25000	0.25000	0.50000	m_x,m_x,m_z	0.33000	0.33000	0.33000
5	0.00000	0.75000	0.25000	m_z,m_x,m_x	0.33000	0.33000	0.33000
6	0.75000	0.50000	0.75000	m_x,m_z,m_x	0.33000	0.33000	0.33000
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7	0.75000	0.75000	0.50000	m_x,m_x,m_z	0.33000	0.33000	0.33000
8	0.50000	0.25000	0.25000	m_z,m_x,m_x	0.33000	0.33000	0.33000
9	0.25000	0.00000	0.75000	m_x,m_z,m_x	0.33000	0.33000	0.33000
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10	0.75000	0.25000	0.00000	m_x,m_x,m_z	0.33000	0.33000	0.33000
11	0.50000	0.75000	0.75000	m_z,m_x,m_x	0.33000	0.33000	0.33000
12	0.25000	0.50000	0.25000	m_x,m_z,m_x	0.33000	0.33000	0.33000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_1:

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	0.25400	0.25400	0.25400
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2	0.00000	0.50000	0.50000	m_x,m_x,m_x	0.25400	0.25400	0.25400
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3	0.50000	0.00000	0.50000	m_x,m_x,m_x	0.25400	0.25400	0.25400
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4	0.50000	0.50000	0.00000	m_x,m_x,m_x	0.25400	0.25400	0.25400

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.50000	m_x,m_x,m_z	-0.25400	-0.25400	0.25400
2	0.50000	0.75000	0.25000	m_z,m_x,m_x	0.25400	-0.25400	-0.25400
3	0.25000	0.50000	0.75000	m_x,m_z,m_x	-0.25400	0.25400	-0.25400
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4	0.75000	0.75000	0.00000	m_x,m_x,m_z	-0.25400	-0.25400	0.25400
5	0.50000	0.25000	0.75000	m_z,m_x,m_x	0.25400	-0.25400	-0.25400
6	0.25000	0.00000	0.25000	m_x,m_z,m_x	-0.25400	0.25400	-0.25400
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7	0.25000	0.25000	0.00000	m_x,m_x,m_z	-0.25400	-0.25400	0.25400
8	0.00000	0.75000	0.75000	m_z,m_x,m_x	0.25400	-0.25400	-0.25400
9	0.75000	0.50000	0.25000	m_x,m_z,m_x	-0.25400	0.25400	-0.25400
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10	0.25000	0.75000	0.50000	m_x,m_x,m_z	-0.25400	-0.25400	0.25400
11	0.00000	0.25000	0.25000	m_z,m_x,m_x	0.25400	-0.25400	-0.25400
12	0.75000	0.00000	0.75000	m_x,m_z,m_x	-0.25400	0.25400	-0.25400

Non-magnetic atoms:

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

Atom	x	y	z
1	0.37500	0.37500	0.37500
2	0.62500	0.62500	0.62500
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3	0.37500	0.87500	0.87500
4	0.62500	0.12500	0.12500
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5	0.87500	0.37500	0.87500
6	0.12500	0.62500	0.12500
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7	0.87500	0.87500	0.37500
8	0.12500	0.12500	0.62500

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.34000	0.12500	0.12500
2	0.12500	0.34000	0.12500
3	0.12500	0.12500	0.34000
4	0.66000	0.87500	0.87500
5	0.87500	0.66000	0.87500
6	0.87500	0.87500	0.66000
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7	0.34000	0.62500	0.62500
8	0.12500	0.84000	0.62500
9	0.12500	0.62500	0.84000
10	0.66000	0.37500	0.37500
11	0.87500	0.16000	0.37500
12	0.87500	0.37500	0.16000
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13	0.84000	0.12500	0.62500
14	0.62500	0.34000	0.62500
15	0.62500	0.12500	0.84000
16	0.16000	0.87500	0.37500
17	0.37500	0.66000	0.37500
18	0.37500	0.87500	0.16000
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19	0.84000	0.62500	0.12500
20	0.62500	0.84000	0.12500
21	0.62500	0.62500	0.34000
22	0.16000	0.37500	0.87500
23	0.37500	0.16000	0.87500
24	0.37500	0.37500	0.66000

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.41000	0.12500	0.62500
2	0.62500	0.41000	0.12500
3	0.12500	0.62500	0.41000
4	0.59000	0.87500	0.37500
5	0.37500	0.59000	0.87500
6	0.87500	0.37500	0.59000
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7	0.41000	0.62500	0.12500
8	0.62500	0.91000	0.62500
9	0.12500	0.12500	0.91000
10	0.59000	0.37500	0.87500
11	0.37500	0.09000	0.37500
12	0.87500	0.87500	0.09000
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13	0.91000	0.12500	0.12500
14	0.12500	0.41000	0.62500
15	0.62500	0.62500	0.91000
16	0.09000	0.87500	0.87500
17	0.87500	0.59000	0.37500
18	0.37500	0.37500	0.09000
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19	0.91000	0.62500	0.62500
20	0.12500	0.91000	0.12500
21	0.62500	0.12500	0.41000
22	0.09000	0.37500	0.37500
23	0.87500	0.09000	0.87500
24	0.37500	0.87500	0.59000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb1_1	Yb	0.50000	0.50000	0.50000	4	m_x,m_x,m_x	0.33	0.33	0.33	0.57
Yb1_2	Yb	0.25000	0.75000	0.00000	12	m_x,m_x,m_z	0.33	0.33	0.33	0.57
Ir1_1	Ir	0.00000	0.00000	0.00000	4	m_x,m_x,m_x	0.254	0.254	0.254	0.44
Ir1_2	Ir	0.75000	0.25000	0.50000	12	m_x,m_x,m_z	-0.254	-0.254	0.254	0.44

[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: