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	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 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	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	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	0.055315	0.75000	0.73208	4	0,m_y,0	0.0	1.3(1)	0.0	1.30
Co2	Co	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.9(1)	-3.10(4)	0.5(2)	3.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.20597	0.25000	0.29973	4
Mo1	Mo	0.43572	0.25000	0.65061	4
Mo2	Mo	0.16038	0.25000	0.84493	4
O1	O	0.42750	0.25000	0.03930	4
O2	O	0.47905	0.25000	0.48820	4
O3	O	0.03395	0.50630	0.23950	8
O4	O	0.14100	0.48880	0.73400	8
O5	O	0.09185	0.25000	0.98210	4
O6	O	0.32945	0.25000	0.60400	4
O7	O	0.26250	0.25000	0.93190	4
H1	H	0.37550	0.25000	0.98600	4

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	0.05532	0.75000	0.73208	0,m_y,0	0.00000	1.30000	0.00000
2	0.94469	0.25000	0.26792	0,m_y,0	0.00000	1.30000	0.00000
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3	0.55532	0.75000	0.73208	0,-m_y,0	0.00000	-1.30000	0.00000
4	0.44469	0.25000	0.26792	0,-m_y,0	0.00000	-1.30000	0.00000

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	0.00000	0.00000	0.50000	m_x,m_y,m_z	-1.90000	-3.10000	0.50000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	1.90000	-3.10000	-0.50000
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3	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	1.90000	3.10000	-0.50000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	-1.90000	3.10000	0.50000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.20597	0.25000	0.29973
2	0.79403	0.75000	0.70027
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3	0.70597	0.25000	0.29973
4	0.29403	0.75000	0.70027

Set of atoms in the unit cell related by symmetry with the atom Mo1:

Atom	x	y	z
1	0.43572	0.25000	0.65061
2	0.56428	0.75000	0.34939
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3	0.93572	0.25000	0.65061
4	0.06428	0.75000	0.34939

Set of atoms in the unit cell related by symmetry with the atom Mo2:

Atom	x	y	z
1	0.16038	0.25000	0.84493
2	0.83962	0.75000	0.15507
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3	0.66038	0.25000	0.84493
4	0.33962	0.75000	0.15507

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

Atom	x	y	z
1	0.42750	0.25000	0.03930
2	0.57250	0.75000	0.96070
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3	0.92750	0.25000	0.03930
4	0.07250	0.75000	0.96070

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

Atom	x	y	z
1	0.47905	0.25000	0.48820
2	0.52095	0.75000	0.51180
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3	0.97905	0.25000	0.48820
4	0.02095	0.75000	0.51180

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

Atom	x	y	z
1	0.03395	0.50630	0.23950
2	0.96605	0.00630	0.76050
3	0.96605	0.49370	0.76050
4	0.03395	0.99370	0.23950
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5	0.53395	0.50630	0.23950
6	0.46605	0.00630	0.76050
7	0.46605	0.49370	0.76050
8	0.53395	0.99370	0.23950

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

Atom	x	y	z
1	0.14100	0.48880	0.73400
2	0.85900	0.98880	0.26600
3	0.85900	0.51120	0.26600
4	0.14100	0.01120	0.73400
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5	0.64100	0.48880	0.73400
6	0.35900	0.98880	0.26600
7	0.35900	0.51120	0.26600
8	0.64100	0.01120	0.73400

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.09185	0.25000	0.98210
2	0.90815	0.75000	0.01790
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3	0.59185	0.25000	0.98210
4	0.40815	0.75000	0.01790

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.32945	0.25000	0.60400
2	0.67055	0.75000	0.39600
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3	0.82945	0.25000	0.60400
4	0.17055	0.75000	0.39600

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.26250	0.25000	0.93190
2	0.73750	0.75000	0.06810
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3	0.76250	0.25000	0.93190
4	0.23750	0.75000	0.06810

Set of atoms in the unit cell related by symmetry with the atom H1:

Atom	x	y	z
1	0.37550	0.25000	0.98600
2	0.62450	0.75000	0.01400
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3	0.87550	0.25000	0.98600
4	0.12450	0.75000	0.01400

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.055315	0.75000	0.73208	4	0,m_y,0	0.0	1.3(1)	0.0	1.30
Co2	Co	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	-1.9(1)	-3.10(4)	0.5(2)	3.71

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	4

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