MAGNDATA - Collection of Magnetic Structures

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 }
(1/2,1/2,1/2)' + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
4	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Cr1_1	Cr	0.00100	0.00000	0.00000	2	0,m_y,m_z	1.08(5)	-1.33(7)	1.71
Cr1_2	Cr	0.00100	0.50000	0.00000	2	0,m_y,m_z	1.08	-1.33	1.71
Cr2	Cr	0.99300	0.25000	0.93600	4	m_x,m_y,m_z	1.08	1.33	1.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1_1	Ca	0.49700	0.10740	0.01200	4
Ca1_2	Ca	0.49700	0.60740	0.98800	4
O1_1	O	0.75400	0.49190	0.74600	4
O1_2	O	0.75400	0.99190	0.25400	4
O2_1	O	0.02200	0.13980	0.03600	4
O2_2	O	0.02200	0.63980	0.96400	4
O3	O	0.16200	0.25000	0.63400	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	0.00100	0.00000	0.00000	0,m_y,m_z	0.00000	1.08000	-1.33000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50100	0.50000	0.50000	0,-m_y,-m_z	0.00000	-1.08000	1.33000

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	0.00100	0.50000	0.00000	0,m_y,m_z	0.00000	1.08000	-1.33000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50100	0.00000	0.50000	0,-m_y,-m_z	0.00000	-1.08000	1.33000

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	0.99300	0.25000	0.93600	m_x,m_y,m_z	0.00000	1.08000	1.33000
2	0.49300	0.25000	0.56400	m_x,-m_y,-m_z	0.00000	-1.08000	-1.33000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.49300	0.75000	0.43600	-m_x,-m_y,-m_z	0.00000	-1.08000	-1.33000
4	0.99300	0.75000	0.06400	-m_x,m_y,m_z	0.00000	1.08000	1.33000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.49700	0.10740	0.01200
2	0.99700	0.39260	0.48800
(1/2,1/2,1/2)' + set click here to show and hide
3	0.99700	0.60740	0.51200
4	0.49700	0.89260	0.98800

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.49700	0.60740	0.98800
2	0.99700	0.89260	0.51200
(1/2,1/2,1/2)' + set click here to show and hide
3	0.99700	0.10740	0.48800
4	0.49700	0.39260	0.01200

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

Atom	x	y	z
1	0.75400	0.49190	0.74600
2	0.25400	0.00810	0.75400
(1/2,1/2,1/2)' + set click here to show and hide
3	0.25400	0.99190	0.24600
4	0.75400	0.50810	0.25400

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

Atom	x	y	z
1	0.75400	0.99190	0.25400
2	0.25400	0.50810	0.24600
(1/2,1/2,1/2)' + set click here to show and hide
3	0.25400	0.49190	0.75400
4	0.75400	0.00810	0.74600

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

Atom	x	y	z
1	0.02200	0.13980	0.03600
2	0.52200	0.36020	0.46400
(1/2,1/2,1/2)' + set click here to show and hide
3	0.52200	0.63980	0.53600
4	0.02200	0.86020	0.96400

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

Atom	x	y	z
1	0.02200	0.63980	0.96400
2	0.52200	0.86020	0.53600
(1/2,1/2,1/2)' + set click here to show and hide
3	0.52200	0.13980	0.46400
4	0.02200	0.36020	0.03600

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

Atom	x	y	z
1	0.16200	0.25000	0.63400
2	0.66200	0.25000	0.86600
(1/2,1/2,1/2)' + set click here to show and hide
3	0.66200	0.75000	0.13400
4	0.16200	0.75000	0.36600

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Cr1_1	Cr	0.00100	0.00000	0.00000	2	0,m_y,m_z	1.08(5)	-1.33(7)	1.71
Cr1_2	Cr	0.00100	0.50000	0.00000	2	0,m_y,m_z	1.08	-1.33	1.71
Cr2	Cr	0.99300	0.25000	0.93600	4	m_x,m_y,m_z	1.08	1.33	1.71

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