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 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Cr1_1	Cr	0.25000	0.25000	0.50000	2	m_x,m_y,m_z	1.7	2.	2.62
Cr1_2	Cr	0.75000	0.25000	0.00000	2	m_x,m_y,m_z	1.7	2.	2.62
Cr2	Cr	0.00000	0.76500	0.25000	4	m_x,m_y,m_z	-1.7	-2.	2.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1_1	Bi	0.13340	0.21580	0.13130	4
Bi1_2	Bi	0.86660	0.21580	0.36870	4
O1_1	O	0.08730	0.20200	0.58700	4
O1_2	O	0.91270	0.20200	0.91300	4
O2_1	O	0.15570	0.52300	0.36490	4
O2_2	O	0.84430	0.52300	0.13510	4
O3_1	O	0.35750	0.52200	0.15960	4
O3_2	O	0.64250	0.52200	0.34040	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 Cr1_1:

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	0.00000	1.70000	2.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	1.70000	2.00000

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	0.25000	0.00000	m_x,m_y,m_z	0.00000	1.70000	2.00000
(1/2,1/2,0) + set click here to show and hide
2	0.25000	0.75000	0.00000	m_x,m_y,m_z	0.00000	1.70000	2.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.76500	0.25000	m_x,m_y,m_z	0.00000	-1.70000	-2.00000
2	0.00000	0.23500	0.75000	m_x,m_y,m_z	0.00000	-1.70000	-2.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.26500	0.25000	m_x,m_y,m_z	0.00000	-1.70000	-2.00000
4	0.50000	0.73500	0.75000	m_x,m_y,m_z	0.00000	-1.70000	-2.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1_1:

Atom	x	y	z
1	0.13340	0.21580	0.13130
2	0.86660	0.78420	0.86870
(1/2,1/2,0) + set click here to show and hide
3	0.63340	0.71580	0.13130
4	0.36660	0.28420	0.86870

Set of atoms in the unit cell related by symmetry with the atom Bi1_2:

Atom	x	y	z
1	0.86660	0.21580	0.36870
2	0.13340	0.78420	0.63130
(1/2,1/2,0) + set click here to show and hide
3	0.36660	0.71580	0.36870
4	0.63340	0.28420	0.63130

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

Atom	x	y	z
1	0.08730	0.20200	0.58700
2	0.91270	0.79800	0.41300
(1/2,1/2,0) + set click here to show and hide
3	0.58730	0.70200	0.58700
4	0.41270	0.29800	0.41300

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

Atom	x	y	z
1	0.91270	0.20200	0.91300
2	0.08730	0.79800	0.08700
(1/2,1/2,0) + set click here to show and hide
3	0.41270	0.70200	0.91300
4	0.58730	0.29800	0.08700

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

Atom	x	y	z
1	0.15570	0.52300	0.36490
2	0.84430	0.47700	0.63510
(1/2,1/2,0) + set click here to show and hide
3	0.65570	0.02300	0.36490
4	0.34430	0.97700	0.63510

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

Atom	x	y	z
1	0.84430	0.52300	0.13510
2	0.15570	0.47700	0.86490
(1/2,1/2,0) + set click here to show and hide
3	0.34430	0.02300	0.13510
4	0.65570	0.97700	0.86490

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.35750	0.52200	0.15960
2	0.64250	0.47800	0.84040
(1/2,1/2,0) + set click here to show and hide
3	0.85750	0.02200	0.15960
4	0.14250	0.97800	0.84040

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.64250	0.52200	0.34040
2	0.35750	0.47800	0.65960
(1/2,1/2,0) + set click here to show and hide
3	0.14250	0.02200	0.34040
4	0.85750	0.97800	0.65960

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Cr1_1	Cr	0.25000	0.25000	0.50000	2	m_x,m_y,m_z	1.7	2.	2.62
Cr1_2	Cr	0.75000	0.25000	0.00000	2	m_x,m_y,m_z	1.7	2.	2.62
Cr2	Cr	0.00000	0.76500	0.25000	4	m_x,m_y,m_z	-1.7	-2.	2.62

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