MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1	Co	0.01550	0.00000	0.93320	4	m_x,m_y,m_z	-1.78(16)	-2.20(16)	2.83
Co2	Co	-0.00670	0.16880	0.69020	4	m_x,m_y,m_z	1.01(14)	1.77(20)	2.04
Co3	Co	0.25270	0.09550	0.19040	4	m_x,m_y,m_z	0.72(22)	1.92(11)	2.05
Co4	Co	0.26730	0.92090	0.68410	4	m_x,m_y,m_z	-0.05(20)	-2.44(12)	2.44

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.00660	0.67290	0.87080	4
Ba1	Ba	0.00430	0.66510	0.50000	4
O1	O	-0.01550	0.00440	0.24600	4
O2	O	-0.00450	0.49140	0.22850	4
O3	O	0.78170	0.26130	0.78150	4
O4	O	0.73190	0.74180	0.21410	4
O5	O	0.94510	0.15220	0.49970	4
O6	O	0.20350	0.10970	0.00620	4
O7	O	0.26450	0.94710	0.50020	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.01550	0.00000	0.93320	m_x,m_y,m_z	-1.78000	-2.20000
2	0.51550	0.50000	0.43320	-m_x,m_y,-m_z	1.78000	-2.20000
3	0.98450	0.00000	0.43320	m_x,m_y,-m_z	-1.78000	-2.20000
4	0.48450	0.50000	0.93320	-m_x,m_y,m_z	1.78000	-2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.99330	0.16880	0.69020	m_x,m_y,m_z	1.01000	1.77000
2	0.49330	0.33120	0.19020	-m_x,m_y,-m_z	-1.01000	1.77000
3	0.00670	0.83120	0.19020	m_x,m_y,-m_z	1.01000	1.77000
4	0.50670	0.66880	0.69020	-m_x,m_y,m_z	-1.01000	1.77000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.25270	0.09550	0.19040	m_x,m_y,m_z	0.72000	1.92000
2	0.75270	0.40450	0.69040	-m_x,m_y,-m_z	-0.72000	1.92000
3	0.74730	0.90450	0.69040	m_x,m_y,-m_z	0.72000	1.92000
4	0.24730	0.59550	0.19040	-m_x,m_y,m_z	-0.72000	1.92000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.26730	0.92090	0.68410	m_x,m_y,m_z	-0.05000	-2.44000
2	0.76730	0.57910	0.18410	-m_x,m_y,-m_z	0.05000	-2.44000
3	0.73270	0.07910	0.18410	m_x,m_y,-m_z	-0.05000	-2.44000
4	0.23270	0.42090	0.68410	-m_x,m_y,m_z	0.05000	-2.44000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Set of atoms in the unit cell related by symmetry with the atom O1:

Set of atoms in the unit cell related by symmetry with the atom O2:

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

Set of atoms in the unit cell related by symmetry with the atom O4:

Set of atoms in the unit cell related by symmetry with the atom O5:

Set of atoms in the unit cell related by symmetry with the atom O6:

Set of atoms in the unit cell related by symmetry with the atom O7:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Co1	Co	0.01550	0.00000	0.93320	4	m_x,m_y,m_z	-1.78(16)	-2.20(16)	2.83
Co2	Co	-0.00670	0.16880	0.69020	4	m_x,m_y,m_z	1.01(14)	1.77(20)	2.04
Co3	Co	0.25270	0.09550	0.19040	4	m_x,m_y,m_z	0.72(22)	1.92(11)	2.05
Co4	Co	0.26730	0.92090	0.68410	4	m_x,m_y,m_z	-0.05(20)	-2.44(12)	2.44

label	dim. small irrep	dim. full irrep	action
mGM3	1	1	primary

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