MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
3	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
(1/2,1/2,1/2)' + set click here to show and hide
4	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
5	z+1/2,x+1/2,y+1/2,-1	{ 3'⁺₁₁₁ \| 1/2 1/2 1/2 }
6	y+1/2,z+1/2,x+1/2,-1	{ 3'^-₁₁₁ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	z,x,y,+1	3⁺₁₁₁
3	y,z,x,+1	3^-₁₁₁
1' + set click here to show and hide
4	x,y,z,-1	1'
5	z,x,y,-1	3'⁺₁₁₁
6	y,z,x,-1	3'^-₁₁₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.50000	6	m_x,m_y,m_z	1.33	1.33	1.33	2.30
Cr1_1	Cr	0.25000	0.25000	0.25000	2	m_x,m_x,m_x	-1.6	-1.6	-1.6	2.77
Cr1_2	Cr	0.75000	0.75000	0.25000	6	m_x,m_y,m_z	-1.6	-1.6	-1.6	2.77

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Bi1	Bi	0.00000	0.00000	2
O1_1	O	0.3117(3)	0.1776(4)	6
O1_2	O	0.6883(3)	0.1776(4)	6
O1_3	O	0.3117(3)	0.8224(4)	6
O1_4	O	0.6883(3)	0.8224(4)	6

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	m_x,m_y,m_z	1.33000	1.33000	1.33000
2	0.50000	0.00000	0.50000	m_z,m_x,m_y	1.33000	1.33000	1.33000
3	0.50000	0.50000	0.00000	m_y,m_z,m_x	1.33000	1.33000	1.33000
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4	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.33000	-1.33000	-1.33000
5	0.00000	0.50000	0.00000	-m_z,-m_x,-m_y	-1.33000	-1.33000	-1.33000
6	0.00000	0.00000	0.50000	-m_y,-m_z,-m_x	-1.33000	-1.33000	-1.33000

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	0.25000	0.25000	0.25000	m_x,m_x,m_x	-1.60000	-1.60000	-1.60000
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2	0.75000	0.75000	0.75000	-m_x,-m_x,-m_x	1.60000	1.60000	1.60000

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	0.75000	0.75000	0.25000	m_x,m_y,m_z	-1.60000	-1.60000	-1.60000
2	0.25000	0.75000	0.75000	m_z,m_x,m_y	-1.60000	-1.60000	-1.60000
3	0.75000	0.25000	0.75000	m_y,m_z,m_x	-1.60000	-1.60000	-1.60000
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4	0.25000	0.25000	0.75000	-m_x,-m_y,-m_z	1.60000	1.60000	1.60000
5	0.75000	0.25000	0.25000	-m_z,-m_x,-m_y	1.60000	1.60000	1.60000
6	0.25000	0.75000	0.25000	-m_y,-m_z,-m_x	1.60000	1.60000	1.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
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2	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.00000	0.31170	0.17760
2	0.17760	0.00000	0.31170
3	0.31170	0.17760	0.00000
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4	0.50000	0.81170	0.67760
5	0.67760	0.50000	0.81170
6	0.81170	0.67760	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.00000	0.68830	0.17760
2	0.17760	0.00000	0.68830
3	0.68830	0.17760	0.00000
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4	0.50000	0.18830	0.67760
5	0.67760	0.50000	0.18830
6	0.18830	0.67760	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.00000	0.31170	0.82240
2	0.82240	0.00000	0.31170
3	0.31170	0.82240	0.00000
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4	0.50000	0.81170	0.32240
5	0.32240	0.50000	0.81170
6	0.81170	0.32240	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.00000	0.68830	0.82240
2	0.82240	0.00000	0.68830
3	0.68830	0.82240	0.00000
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4	0.50000	0.18830	0.32240
5	0.32240	0.50000	0.18830
6	0.18830	0.32240	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.50000	6	m_x,m_y,m_z	1.33	1.33	1.33	2.30
Cr1_1	Cr	0.25000	0.25000	0.25000	2	m_x,m_x,m_x	-1.6	-1.6	-1.6	2.77
Cr1_2	Cr	0.75000	0.75000	0.25000	6	m_x,m_y,m_z	-1.6	-1.6	-1.6	2.77

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