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+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
5	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
6	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
7	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
8	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
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9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
11	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
12	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
15	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
16	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }

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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	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
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9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'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\|
Co1	Co	0.00000	0.239	0.25000	8	m_x,0,m_z	0.7(2)	0.0	2.4(2)	2.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.25000	0.00000	0.150	8
Cl1	Cl	0.25000	0.25000	0.150	8
Cl2	Cl	0.087	0.115	0.391	16
O1	O	0.065	0.364	0.363	16
D1	D	0.027	0.337	0.444	16
D2	D	0.166	0.338	0.383	16

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	0.00000	0.23900	0.25000	m_x,0,m_z	0.70000	0.00000	2.40000
2	0.50000	0.26100	0.25000	m_x,0,-m_z	0.70000	0.00000	-2.40000
3	0.00000	0.26100	0.75000	m_x,0,m_z	0.70000	0.00000	2.40000
4	0.50000	0.23900	0.75000	m_x,0,-m_z	0.70000	0.00000	-2.40000
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5	0.00000	0.73900	0.25000	-m_x,0,-m_z	-0.70000	0.00000	-2.40000
6	0.50000	0.76100	0.25000	-m_x,0,m_z	-0.70000	0.00000	2.40000
7	0.00000	0.76100	0.75000	-m_x,0,-m_z	-0.70000	0.00000	-2.40000
8	0.50000	0.73900	0.75000	-m_x,0,m_z	-0.70000	0.00000	2.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Atom	x	y	z
1	0.25000	0.00000	0.15000
2	0.75000	0.50000	0.35000
3	0.75000	0.50000	0.85000
4	0.25000	0.00000	0.65000
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5	0.25000	0.50000	0.15000
6	0.75000	0.00000	0.35000
7	0.75000	0.00000	0.85000
8	0.25000	0.50000	0.65000

Set of atoms in the unit cell related by symmetry with the atom Cl1:

Atom	x	y	z
1	0.25000	0.25000	0.15000
2	0.75000	0.25000	0.35000
3	0.75000	0.25000	0.85000
4	0.25000	0.25000	0.65000
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5	0.25000	0.75000	0.15000
6	0.75000	0.75000	0.35000
7	0.75000	0.75000	0.85000
8	0.25000	0.75000	0.65000

Set of atoms in the unit cell related by symmetry with the atom Cl2:

Atom	x	y	z
1	0.08700	0.11500	0.39100
2	0.58700	0.38500	0.10900
3	0.91300	0.61500	0.10900
4	0.41300	0.88500	0.39100
5	0.91300	0.38500	0.60900
6	0.41300	0.11500	0.89100
7	0.08700	0.88500	0.89100
8	0.58700	0.61500	0.60900
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9	0.08700	0.61500	0.39100
10	0.58700	0.88500	0.10900
11	0.91300	0.11500	0.10900
12	0.41300	0.38500	0.39100
13	0.91300	0.88500	0.60900
14	0.41300	0.61500	0.89100
15	0.08700	0.38500	0.89100
16	0.58700	0.11500	0.60900

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

Atom	x	y	z
1	0.06500	0.36400	0.36300
2	0.56500	0.13600	0.13700
3	0.93500	0.86400	0.13700
4	0.43500	0.63600	0.36300
5	0.93500	0.13600	0.63700
6	0.43500	0.36400	0.86300
7	0.06500	0.63600	0.86300
8	0.56500	0.86400	0.63700
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9	0.06500	0.86400	0.36300
10	0.56500	0.63600	0.13700
11	0.93500	0.36400	0.13700
12	0.43500	0.13600	0.36300
13	0.93500	0.63600	0.63700
14	0.43500	0.86400	0.86300
15	0.06500	0.13600	0.86300
16	0.56500	0.36400	0.63700

Set of atoms in the unit cell related by symmetry with the atom D1:

Atom	x	y	z
1	0.02700	0.33700	0.44400
2	0.52700	0.16300	0.05600
3	0.97300	0.83700	0.05600
4	0.47300	0.66300	0.44400
5	0.97300	0.16300	0.55600
6	0.47300	0.33700	0.94400
7	0.02700	0.66300	0.94400
8	0.52700	0.83700	0.55600
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9	0.02700	0.83700	0.44400
10	0.52700	0.66300	0.05600
11	0.97300	0.33700	0.05600
12	0.47300	0.16300	0.44400
13	0.97300	0.66300	0.55600
14	0.47300	0.83700	0.94400
15	0.02700	0.16300	0.94400
16	0.52700	0.33700	0.55600

Set of atoms in the unit cell related by symmetry with the atom D2:

Atom	x	y	z
1	0.16600	0.33800	0.38300
2	0.66600	0.16200	0.11700
3	0.83400	0.83800	0.11700
4	0.33400	0.66200	0.38300
5	0.83400	0.16200	0.61700
6	0.33400	0.33800	0.88300
7	0.16600	0.66200	0.88300
8	0.66600	0.83800	0.61700
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9	0.16600	0.83800	0.38300
10	0.66600	0.66200	0.11700
11	0.83400	0.33800	0.11700
12	0.33400	0.16200	0.38300
13	0.83400	0.66200	0.61700
14	0.33400	0.83800	0.88300
15	0.16600	0.16200	0.88300
16	0.66600	0.33800	0.61700

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.239	0.25000	8	m_x,0,m_z	0.7(2)	0.0	2.4(2)	2.50

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	2

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