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

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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	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,y,-z,+1	m₀₀₁
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,-y,z,-1	2'₀₀₁
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,y,-z,-1	m'₀₀₁
16	x,-y,z,-1	m'₀₁₀

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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	0.00000	0.25000	8	m_x,m_y,m_z	2.29(2)	1.19(3)	0.0	2.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ce1	Ce	0.25000	0.25000	0.25000	4
Ge1_1	Ge	0.52440	0.25000	0.00000	8
Ge1_2	Ge	0.25000	0.52440	0.00000	8
O1	O	0.63100	0.36900	0.09030	16
O2_1	O	0.16190	0.06420	0.12845	16
O2_2	O	0.43580	0.16190	0.12845	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	0.00000	0.25000	m_x,m_y,m_z	2.29000	1.19000	0.00000
2	0.00000	0.50000	0.75000	m_x,-m_y,-m_z	2.29000	-1.19000	0.00000
3	0.50000	0.50000	0.75000	-m_x,-m_y,m_z	-2.29000	-1.19000	0.00000
4	0.50000	0.00000	0.25000	-m_x,m_y,-m_z	-2.29000	1.19000	0.00000
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5	0.00000	0.00000	0.75000	-m_x,-m_y,-m_z	-2.29000	-1.19000	0.00000
6	0.00000	0.50000	0.25000	-m_x,m_y,m_z	-2.29000	1.19000	0.00000
7	0.50000	0.50000	0.25000	m_x,m_y,-m_z	2.29000	1.19000	0.00000
8	0.50000	0.00000	0.75000	m_x,-m_y,m_z	2.29000	-1.19000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ce1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.75000	0.75000	0.25000
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3	0.25000	0.25000	0.75000
4	0.75000	0.75000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ge1_1:

Atom	x	y	z
1	0.52440	0.25000	0.00000
2	0.97560	0.25000	0.50000
3	0.47560	0.75000	0.50000
4	0.02440	0.75000	0.00000
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5	0.52440	0.25000	0.50000
6	0.97560	0.25000	0.00000
7	0.47560	0.75000	0.00000
8	0.02440	0.75000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ge1_2:

Atom	x	y	z
1	0.25000	0.52440	0.00000
2	0.25000	0.97560	0.00000
3	0.75000	0.47560	0.50000
4	0.75000	0.02440	0.50000
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5	0.25000	0.52440	0.50000
6	0.25000	0.97560	0.50000
7	0.75000	0.47560	0.00000
8	0.75000	0.02440	0.00000

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

Atom	x	y	z
1	0.63100	0.36900	0.09030
2	0.63100	0.13100	0.90970
3	0.86900	0.13100	0.59030
4	0.86900	0.36900	0.40970
5	0.36900	0.63100	0.40970
6	0.36900	0.86900	0.59030
7	0.13100	0.86900	0.90970
8	0.13100	0.63100	0.09030
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9	0.63100	0.36900	0.59030
10	0.63100	0.13100	0.40970
11	0.86900	0.13100	0.09030
12	0.86900	0.36900	0.90970
13	0.36900	0.63100	0.90970
14	0.36900	0.86900	0.09030
15	0.13100	0.86900	0.40970
16	0.13100	0.63100	0.59030

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

Atom	x	y	z
1	0.16190	0.06420	0.12845
2	0.16190	0.43580	0.87155
3	0.33810	0.43580	0.62845
4	0.33810	0.06420	0.37155
5	0.83810	0.93580	0.37155
6	0.83810	0.56420	0.62845
7	0.66190	0.56420	0.87155
8	0.66190	0.93580	0.12845
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9	0.16190	0.06420	0.62845
10	0.16190	0.43580	0.37155
11	0.33810	0.43580	0.12845
12	0.33810	0.06420	0.87155
13	0.83810	0.93580	0.87155
14	0.83810	0.56420	0.12845
15	0.66190	0.56420	0.37155
16	0.66190	0.93580	0.62845

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

Atom	x	y	z
1	0.43580	0.16190	0.12845
2	0.43580	0.33810	0.87155
3	0.06420	0.33810	0.62845
4	0.06420	0.16190	0.37155
5	0.56420	0.83810	0.37155
6	0.56420	0.66190	0.62845
7	0.93580	0.66190	0.87155
8	0.93580	0.83810	0.12845
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9	0.43580	0.16190	0.62845
10	0.43580	0.33810	0.37155
11	0.06420	0.33810	0.12845
12	0.06420	0.16190	0.87155
13	0.56420	0.83810	0.87155
14	0.56420	0.66190	0.12845
15	0.93580	0.66190	0.37155
16	0.93580	0.83810	0.62845

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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	0.00000	0.25000	8	m_x,m_y,m_z	2.29(2)	1.19(3)	0.0	2.58

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ5-	2	2	special	primary	3

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