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,-z,+1	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y,z,+1	{ m₁₀₀ \| 0 }
7	x,-y,z,+1	{ m₀₁₀ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
10	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
13	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
14	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
15	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
16	y,x,z,-1	{ m'_1-10 \| 0 }
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17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
19	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
20	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
23	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
24	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
25	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
26	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
27	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
28	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
29	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
30	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
31	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
32	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }

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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.74980	0.74980	0.00000	1.	8	0,0,m_z	0.0	0.0	-2.7(3)	2.70
Co2	Co	0.25000	0.25000	0.25000	1.	8	m_x,m_x,m_z	0.0	0.0	1.4(3)	1.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.8782(6)	1.	4
Tb1	Tb	0.00000	0.00000	0.3528(4)	1.	4
Sr2	Sr	0.00000	0.50000	0.8678(3)	0.90	8
Tb2	Tb	0.00000	0.50000	0.86780	0.10	8
O1	O	0.00000	0.2461(4)	0.2405(2)	1.	16
O2	O	0.2834(3)	0.2834	0.1183(3)	1.	16
O3	O	0.7218(8)	0.00000	0.00000	0.999(1)	8
O4	O	0.353(2)	0.50000	0.00000	0.731(2)	8

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	0.74980	0.74980	0.00000	0,0,m_z	0.00000	0.00000	-2.70000
2	0.74980	0.25020	0.00000	0,0,-m_z	0.00000	0.00000	2.70000
3	0.25020	0.74980	0.00000	0,0,-m_z	0.00000	0.00000	2.70000
4	0.25020	0.25020	0.00000	0,0,m_z	0.00000	0.00000	-2.70000
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5	0.24980	0.24980	0.50000	0,0,m_z	0.00000	0.00000	-2.70000
6	0.24980	0.75020	0.50000	0,0,-m_z	0.00000	0.00000	2.70000
7	0.75020	0.24980	0.50000	0,0,-m_z	0.00000	0.00000	2.70000
8	0.75020	0.75020	0.50000	0,0,m_z	0.00000	0.00000	-2.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_z	0.00000	0.00000	1.40000
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_z	0.00000	0.00000	-1.40000
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_z	0.00000	0.00000	-1.40000
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_z	0.00000	0.00000	1.40000
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5	0.75000	0.75000	0.75000	m_x,m_x,m_z	0.00000	0.00000	1.40000
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_z	0.00000	0.00000	-1.40000
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_z	0.00000	0.00000	-1.40000
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_z	0.00000	0.00000	1.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.00000	0.87820
2	0.00000	0.00000	0.12180
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3	0.50000	0.50000	0.37820
4	0.50000	0.50000	0.62180

Set of atoms in the unit cell related by symmetry with the atom Tb1:

Atom	x	y	z
1	0.00000	0.00000	0.35280
2	0.00000	0.00000	0.64720
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3	0.50000	0.50000	0.85280
4	0.50000	0.50000	0.14720

Set of atoms in the unit cell related by symmetry with the atom Sr2:

Atom	x	y	z
1	0.00000	0.50000	0.86780
2	0.00000	0.50000	0.13220
3	0.50000	0.00000	0.86780
4	0.50000	0.00000	0.13220
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5	0.50000	0.00000	0.36780
6	0.50000	0.00000	0.63220
7	0.00000	0.50000	0.36780
8	0.00000	0.50000	0.63220

Set of atoms in the unit cell related by symmetry with the atom Tb2:

Atom	x	y	z
1	0.00000	0.50000	0.86780
2	0.00000	0.50000	0.13220
3	0.50000	0.00000	0.86780
4	0.50000	0.00000	0.13220
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5	0.50000	0.00000	0.36780
6	0.50000	0.00000	0.63220
7	0.00000	0.50000	0.36780
8	0.00000	0.50000	0.63220

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

Atom	x	y	z
1	0.00000	0.24610	0.24050
2	0.00000	0.75390	0.75950
3	0.00000	0.24610	0.75950
4	0.00000	0.75390	0.24050
5	0.75390	0.00000	0.24050
6	0.24610	0.00000	0.24050
7	0.24610	0.00000	0.75950
8	0.75390	0.00000	0.75950
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9	0.50000	0.74610	0.74050
10	0.50000	0.25390	0.25950
11	0.50000	0.74610	0.25950
12	0.50000	0.25390	0.74050
13	0.25390	0.50000	0.74050
14	0.74610	0.50000	0.74050
15	0.74610	0.50000	0.25950
16	0.25390	0.50000	0.25950

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.28340	0.28340	0.11830
2	0.28340	0.71660	0.88170
3	0.71660	0.28340	0.88170
4	0.71660	0.71660	0.11830
5	0.71660	0.71660	0.88170
6	0.71660	0.28340	0.11830
7	0.28340	0.71660	0.11830
8	0.28340	0.28340	0.88170
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9	0.78340	0.78340	0.61830
10	0.78340	0.21660	0.38170
11	0.21660	0.78340	0.38170
12	0.21660	0.21660	0.61830
13	0.21660	0.21660	0.38170
14	0.21660	0.78340	0.61830
15	0.78340	0.21660	0.61830
16	0.78340	0.78340	0.38170

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.72180	0.00000	0.00000
2	0.27820	0.00000	0.00000
3	0.00000	0.72180	0.00000
4	0.00000	0.27820	0.00000
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5	0.22180	0.50000	0.50000
6	0.77820	0.50000	0.50000
7	0.50000	0.22180	0.50000
8	0.50000	0.77820	0.50000

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.35300	0.50000	0.00000
2	0.64700	0.50000	0.00000
3	0.50000	0.35300	0.00000
4	0.50000	0.64700	0.00000
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5	0.85300	0.00000	0.50000
6	0.14700	0.00000	0.50000
7	0.00000	0.85300	0.50000
8	0.00000	0.14700	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	0.74980	0.74980	0.00000	8	0,0,m_z	0.0	0.0	-2.7(3)	2.70
Co2	Co	0.25000	0.25000	0.25000	8	m_x,m_x,m_z	0.0	0.0	1.4(3)	1.40

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	3

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