MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Fe1	Fe	0.00100	0.00000	0.95160	4	m_x,m_y,m_z	-1.0(2)	3.1(1)	3.26
Fe2	Fe	0.00300	0.17820	0.69970	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42
Fe3	Fe	0.29350	0.09340	0.19410	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42
Fe4	Fe	0.24710	0.91390	0.70070	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.01100	0.66860	0.89150	4
Ba1	Ba	0.00100	0.66960	0.52030	4
O1	O	0.00100	0.00300	0.26650	4
O2	O	0.00400	0.50070	0.25620	4
O3	O	0.78350	0.26330	0.80530	4
O4	O	0.71800	0.75310	0.22440	4
O5	O	0.05400	0.15650	0.51400	4
O6	O	0.19580	0.11020	0.01900	4
O7	O	0.25080	0.94020	0.51600	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.00100	0.00000	0.95160	m_x,m_y,m_z	-1.00000	3.10000
2	0.99900	0.00000	0.45160	-m_x,-m_y,m_z	1.00000	3.10000
3	0.50100	0.50000	0.45160	m_x,-m_y,m_z	1.00000	3.10000
4	0.49900	0.50000	0.95160	-m_x,m_y,m_z	-1.00000	3.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.00300	0.17820	0.69970	m_x,m_y,m_z	-1.00000	-2.20000
2	0.99700	0.82180	0.19970	-m_x,-m_y,m_z	1.00000	-2.20000
3	0.50300	0.32180	0.19970	m_x,-m_y,m_z	1.00000	-2.20000
4	0.49700	0.67820	0.69970	-m_x,m_y,m_z	-1.00000	-2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.29350	0.09340	0.19410	m_x,m_y,m_z	-1.00000	-2.20000
2	0.70650	0.90660	0.69410	-m_x,-m_y,m_z	1.00000	-2.20000
3	0.79350	0.40660	0.69410	m_x,-m_y,m_z	1.00000	-2.20000
4	0.20650	0.59340	0.19410	-m_x,m_y,m_z	-1.00000	-2.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_y	M_z
1	0.24710	0.91390	0.70070	m_x,m_y,m_z	-1.00000	-2.20000
2	0.75290	0.08610	0.20070	-m_x,-m_y,m_z	1.00000	-2.20000
3	0.74710	0.58610	0.20070	m_x,-m_y,m_z	1.00000	-2.20000
4	0.25290	0.41390	0.70070	-m_x,m_y,m_z	-1.00000	-2.20000

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_y	M_z	\|M\|
Fe1	Fe	0.00100	0.00000	0.95160	4	m_x,m_y,m_z	-1.0(2)	3.1(1)	3.26
Fe2	Fe	0.00300	0.17820	0.69970	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42
Fe3	Fe	0.29350	0.09340	0.19410	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42
Fe4	Fe	0.24710	0.91390	0.70070	4	m_x,m_y,m_z	-1.0(2)	-2.2(1)	2.42

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	3

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