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	0.7486(8)	0.7486	0.00000	1.	8	0,0,m_z	0.0	0.0	-2.5(1)	2.50
Co2	Co	0.25000	0.25000	0.25000	1.	8	m_x,m_x,m_z	0.0	0.0	1.5(1)	1.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.8787(5)	1.	4
Ho1	Ho	0.00000	0.00000	0.3514(3)	1.	4
Sr2	Sr	0.00000	0.50000	0.8677(3)	0.90	8
Ho2	Ho	0.00000	0.50000	0.8677	0.10	8
O1	O	0.00000	0.2453(4)	0.2393(2)	1.	16
O2	O	0.2863(3)	0.2863	0.1184(3)	1.	16
O3	O	0.7193(7)	0.00000	0.00000	0.984(3)	8
O4	O	0.390(2)	0.50000	0.00000	0.412(3)	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	0.74860	0.74860	0.00000	0,0,m_z	0.00000	0.00000	-2.50000
2	0.74860	0.25140	0.00000	0,0,-m_z	0.00000	0.00000	2.50000
3	0.25140	0.74860	0.00000	0,0,-m_z	0.00000	0.00000	2.50000
4	0.25140	0.25140	0.00000	0,0,m_z	0.00000	0.00000	-2.50000
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5	0.24860	0.24860	0.50000	0,0,m_z	0.00000	0.00000	-2.50000
6	0.24860	0.75140	0.50000	0,0,-m_z	0.00000	0.00000	2.50000
7	0.75140	0.24860	0.50000	0,0,-m_z	0.00000	0.00000	2.50000
8	0.75140	0.75140	0.50000	0,0,m_z	0.00000	0.00000	-2.50000

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	1.50000
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_z	0.00000	0.00000	-1.50000
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_z	0.00000	0.00000	-1.50000
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_z	0.00000	0.00000	1.50000
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5	0.75000	0.75000	0.75000	m_x,m_x,m_z	0.00000	0.00000	1.50000
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_z	0.00000	0.00000	-1.50000
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_z	0.00000	0.00000	-1.50000
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_z	0.00000	0.00000	1.50000

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	0.87870
2	0.00000	0.00000	0.12130
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3	0.50000	0.50000	0.37870
4	0.50000	0.50000	0.62130

Set of atoms in the unit cell related by symmetry with the atom Ho1:

Atom	x	y	z
1	0.00000	0.00000	0.35140
2	0.00000	0.00000	0.64860
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3	0.50000	0.50000	0.85140
4	0.50000	0.50000	0.14860

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

Atom	x	y	z
1	0.00000	0.50000	0.86770
2	0.00000	0.50000	0.13230
3	0.50000	0.00000	0.86770
4	0.50000	0.00000	0.13230
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5	0.50000	0.00000	0.36770
6	0.50000	0.00000	0.63230
7	0.00000	0.50000	0.36770
8	0.00000	0.50000	0.63230

Set of atoms in the unit cell related by symmetry with the atom Ho2:

Atom	x	y	z
1	0.00000	0.50000	0.86770
2	0.00000	0.50000	0.13230
3	0.50000	0.00000	0.86770
4	0.50000	0.00000	0.13230
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5	0.50000	0.00000	0.36770
6	0.50000	0.00000	0.63230
7	0.00000	0.50000	0.36770
8	0.00000	0.50000	0.63230

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

Atom	x	y	z
1	0.00000	0.24530	0.23930
2	0.00000	0.75470	0.76070
3	0.00000	0.24530	0.76070
4	0.00000	0.75470	0.23930
5	0.75470	0.00000	0.23930
6	0.24530	0.00000	0.23930
7	0.24530	0.00000	0.76070
8	0.75470	0.00000	0.76070
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9	0.50000	0.74530	0.73930
10	0.50000	0.25470	0.26070
11	0.50000	0.74530	0.26070
12	0.50000	0.25470	0.73930
13	0.25470	0.50000	0.73930
14	0.74530	0.50000	0.73930
15	0.74530	0.50000	0.26070
16	0.25470	0.50000	0.26070

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

Atom	x	y	z
1	0.28630	0.28630	0.11840
2	0.28630	0.71370	0.88160
3	0.71370	0.28630	0.88160
4	0.71370	0.71370	0.11840
5	0.71370	0.71370	0.88160
6	0.71370	0.28630	0.11840
7	0.28630	0.71370	0.11840
8	0.28630	0.28630	0.88160
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9	0.78630	0.78630	0.61840
10	0.78630	0.21370	0.38160
11	0.21370	0.78630	0.38160
12	0.21370	0.21370	0.61840
13	0.21370	0.21370	0.38160
14	0.21370	0.78630	0.61840
15	0.78630	0.21370	0.61840
16	0.78630	0.78630	0.38160

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

Atom	x	y	z
1	0.71930	0.00000	0.00000
2	0.28070	0.00000	0.00000
3	0.00000	0.71930	0.00000
4	0.00000	0.28070	0.00000
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5	0.21930	0.50000	0.50000
6	0.78070	0.50000	0.50000
7	0.50000	0.21930	0.50000
8	0.50000	0.78070	0.50000

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

Atom	x	y	z
1	0.39000	0.50000	0.00000
2	0.61000	0.50000	0.00000
3	0.50000	0.39000	0.00000
4	0.50000	0.61000	0.00000
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5	0.89000	0.00000	0.50000
6	0.11000	0.00000	0.50000
7	0.00000	0.89000	0.50000
8	0.00000	0.11000	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	0.7486(8)	0.7486	0.00000	8	0,0,m_z	0.0	0.0	-2.5(1)	2.50
Co2	Co	0.25000	0.25000	0.25000	8	m_x,m_x,m_z	0.0	0.0	1.5(1)	1.50

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