MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.75000	0.25000	0.50000	0.9	4	m_x,m_y,m_z	1.4(3)	0.05(1)	2.5(1)	2.87
Cr1_2	Cr	0.25000	0.25000	0.50000	0.9	4	m_x,m_y,m_z	1.4(3)	0.7(2)	2.5(1)	2.95
Cr1_3	Cr	0.00000	0.00000	0.00000	0.9	4	m_x,m_y,m_z	1.4(3)	1.2(1)	2.5(1)	3.11
Cr1_4	Cr	0.00000	0.50000	0.00000	0.9	4	m_x,m_y,m_z	1.4(3)	1.2(1)	2.5(1)	3.11

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1_1	Te	0.00000	0.83333	0.25000	1.	4
Te1_2	Te	0.00000	0.33333	0.25000	1.	4
Te1_3	Te	0.25000	0.08333	0.25000	1.	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 Cr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.25000	0.50000	m_x,m_y,m_z	1.40000	0.05000	2.50000
2	0.25000	0.25000	0.00000	m_x,-m_y,m_z	1.40000	-0.05000	2.50000
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3	0.25000	0.75000	0.50000	m_x,m_y,m_z	1.40000	0.05000	2.50000
4	0.75000	0.75000	0.00000	m_x,-m_y,m_z	1.40000	-0.05000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,m_y,m_z	1.40000	0.70000	2.50000
2	0.75000	0.25000	0.00000	m_x,-m_y,m_z	1.40000	-0.70000	2.50000
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3	0.75000	0.75000	0.50000	m_x,m_y,m_z	1.40000	0.70000	2.50000
4	0.25000	0.75000	0.00000	m_x,-m_y,m_z	1.40000	-0.70000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.40000	1.20000	2.50000
2	0.00000	0.00000	0.50000	m_x,-m_y,m_z	1.40000	-1.20000	2.50000
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3	0.50000	0.50000	0.00000	m_x,m_y,m_z	1.40000	1.20000	2.50000
4	0.50000	0.50000	0.50000	m_x,-m_y,m_z	1.40000	-1.20000	2.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.40000	1.20000	2.50000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	1.40000	-1.20000	2.50000
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3	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.40000	1.20000	2.50000
4	0.50000	0.00000	0.50000	m_x,-m_y,m_z	1.40000	-1.20000	2.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1_1:

Atom	x	y	z
1	0.00000	0.83333	0.25000
2	0.00000	0.16667	0.75000
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3	0.50000	0.33333	0.25000
4	0.50000	0.66667	0.75000

Set of atoms in the unit cell related by symmetry with the atom Te1_2:

Atom	x	y	z
1	0.00000	0.33333	0.25000
2	0.00000	0.66667	0.75000
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3	0.50000	0.83333	0.25000
4	0.50000	0.16667	0.75000

Set of atoms in the unit cell related by symmetry with the atom Te1_3:

Atom	x	y	z
1	0.25000	0.08333	0.25000
2	0.75000	0.91667	0.75000
3	0.75000	0.08333	0.25000
4	0.25000	0.91667	0.75000
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5	0.75000	0.58333	0.25000
6	0.25000	0.41667	0.75000
7	0.25000	0.58333	0.25000
8	0.75000	0.41667	0.75000

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.75000	0.25000	0.50000	0.9	4	m_x,m_y,m_z	1.4(3)	0.05(1)	2.5(1)	2.87
Cr1_2	Cr	0.25000	0.25000	0.50000	0.9	4	m_x,m_y,m_z	1.4(3)	0.7(2)	2.5(1)	2.95
Cr1_3	Cr	0.00000	0.00000	0.00000	0.9	4	m_x,m_y,m_z	1.4(3)	1.2(1)	2.5(1)	3.11
Cr1_4	Cr	0.00000	0.50000	0.00000	0.9	4	m_x,m_y,m_z	1.4(3)	1.2(1)	2.5(1)	3.11

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