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	{ 2₀₁₀ \| 0 1/2 0 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
7	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
8	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
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9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
11	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
12	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	-x,y,z,-1	{ m'₁₀₀ \| 0 }
15	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
16	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 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	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_y	\|M\|
Nd1_1	Nd	0.00000	0.25000	0.54040	4	0,m_y,0	1.78	1.78
Nd1_2	Nd	0.10000	0.75000	0.04040	8	0,m_y,0	-1.78	1.78
Nd1_3	Nd	0.20000	0.25000	0.54040	8	0,m_y,0	-1.78	1.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.00000	0.05060	0.16700	8
Cu1_2	Cu	0.10000	0.55060	0.66700	16
Cu1_3	Cu	0.20000	0.05060	0.16700	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 Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.54040	0,m_y,0	0.00000	1.78000	0.00000
2	0.50000	0.25000	0.95960	0,-m_y,0	0.00000	-1.78000	0.00000
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3	0.50000	0.75000	0.04040	0,-m_y,0	0.00000	-1.78000	0.00000
4	0.00000	0.75000	0.45960	0,m_y,0	0.00000	1.78000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.10000	0.75000	0.04040	0,m_y,0	0.00000	-1.78000	0.00000
2	0.60000	0.75000	0.45960	0,-m_y,0	0.00000	1.78000	0.00000
3	0.90000	0.25000	0.95960	0,m_y,0	0.00000	-1.78000	0.00000
4	0.40000	0.25000	0.54040	0,-m_y,0	0.00000	1.78000	0.00000
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5	0.60000	0.25000	0.54040	0,-m_y,0	0.00000	1.78000	0.00000
6	0.10000	0.25000	0.95960	0,m_y,0	0.00000	-1.78000	0.00000
7	0.40000	0.75000	0.45960	0,-m_y,0	0.00000	1.78000	0.00000
8	0.90000	0.75000	0.04040	0,m_y,0	0.00000	-1.78000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.20000	0.25000	0.54040	0,m_y,0	0.00000	-1.78000	0.00000
2	0.70000	0.25000	0.95960	0,-m_y,0	0.00000	1.78000	0.00000
3	0.80000	0.75000	0.45960	0,m_y,0	0.00000	-1.78000	0.00000
4	0.30000	0.75000	0.04040	0,-m_y,0	0.00000	1.78000	0.00000
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5	0.70000	0.75000	0.04040	0,-m_y,0	0.00000	1.78000	0.00000
6	0.20000	0.75000	0.45960	0,m_y,0	0.00000	-1.78000	0.00000
7	0.30000	0.25000	0.95960	0,-m_y,0	0.00000	1.78000	0.00000
8	0.80000	0.25000	0.54040	0,m_y,0	0.00000	-1.78000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.00000	0.05060	0.16700
2	0.50000	0.44940	0.33300
3	0.00000	0.55060	0.83300
4	0.50000	0.94940	0.66700
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5	0.50000	0.55060	0.66700
6	0.00000	0.94940	0.83300
7	0.50000	0.05060	0.33300
8	0.00000	0.44940	0.16700

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.10000	0.55060	0.66700
2	0.60000	0.94940	0.83300
3	0.90000	0.05060	0.33300
4	0.40000	0.44940	0.16700
5	0.90000	0.44940	0.33300
6	0.40000	0.05060	0.16700
7	0.10000	0.94940	0.66700
8	0.60000	0.55060	0.83300
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9	0.60000	0.05060	0.16700
10	0.10000	0.44940	0.33300
11	0.40000	0.55060	0.83300
12	0.90000	0.94940	0.66700
13	0.40000	0.94940	0.83300
14	0.90000	0.55060	0.66700
15	0.60000	0.44940	0.16700
16	0.10000	0.05060	0.33300

Set of atoms in the unit cell related by symmetry with the atom Cu1_3:

Atom	x	y	z
1	0.20000	0.05060	0.16700
2	0.70000	0.44940	0.33300
3	0.80000	0.55060	0.83300
4	0.30000	0.94940	0.66700
5	0.80000	0.94940	0.83300
6	0.30000	0.55060	0.66700
7	0.20000	0.44940	0.16700
8	0.70000	0.05060	0.33300
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9	0.70000	0.55060	0.66700
10	0.20000	0.94940	0.83300
11	0.30000	0.05060	0.33300
12	0.80000	0.44940	0.16700
13	0.30000	0.44940	0.33300
14	0.80000	0.05060	0.16700
15	0.70000	0.94940	0.66700
16	0.20000	0.55060	0.83300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Nd1_1	Nd	0.00000	0.25000	0.54040	4	0,m_y,0	1.78	1.78
Nd1_2	Nd	0.10000	0.75000	0.04040	8	0,m_y,0	-1.78	1.78
Nd1_3	Nd	0.20000	0.25000	0.54040	8	0,m_y,0	-1.78	1.78

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