MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+y+1/3,y+2/3,z+1/6,-1	{ m'₁₀₀ \| 1/3 2/3 1/6 }
(1/3,2/3,2/3) + set click here to show and hide
3	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
4	-x+y+2/3,y+1/3,z+5/6,-1	{ m'₁₀₀ \| 2/3 1/3 5/6 }
(2/3,1/3,1/3) + set click here to show and hide
5	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
6	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x+y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.68	6	m_x,m_y,m_z	2.15(2)	0.0	0.0	2.15
Fe2	Fe	0.00000	0.00000	0.28919	0.32	6	m_x,m_y,m_z	1.03(3)	0.0	0.0	1.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ga1	Ga	0.00000	0.00000	0.00000	0.32	6
Ga2	Ga	0.00000	0.00000	0.28919	0.68	6
O1_1	O	0.30263	0.99540	0.89200	1.	6
O1_2	O	0.00460	0.30723	0.89200	1.	6
O1_3	O	0.69277	0.69737	0.89200	1.	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	2.15000	0.00000	0.00000
2	0.33333	0.66667	0.16667	-m_x+m_y,m_y,m_z	-2.15000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	m_x,m_y,m_z	2.15000	0.00000	0.00000
4	0.66667	0.33333	0.83333	-m_x+m_y,m_y,m_z	-2.15000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	m_x,m_y,m_z	2.15000	0.00000	0.00000
6	0.00000	0.00000	0.50000	-m_x+m_y,m_y,m_z	-2.15000	0.00000	0.00000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.28919	m_x,m_y,m_z	1.03000	0.00000	0.00000
2	0.33333	0.66667	0.45586	-m_x+m_y,m_y,m_z	-1.03000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.95586	m_x,m_y,m_z	1.03000	0.00000	0.00000
4	0.66667	0.33333	0.12252	-m_x+m_y,m_y,m_z	-1.03000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.62252	m_x,m_y,m_z	1.03000	0.00000	0.00000
6	0.00000	0.00000	0.78919	-m_x+m_y,m_y,m_z	-1.03000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ga1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.33333	0.66667	0.16667
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667
4	0.66667	0.33333	0.83333
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333
6	0.00000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ga2:

Atom	x	y	z
1	0.00000	0.00000	0.28919
2	0.33333	0.66667	0.45586
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.95586
4	0.66667	0.33333	0.12252
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.62252
6	0.00000	0.00000	0.78919

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

Atom	x	y	z
1	0.30263	0.99540	0.89200
2	0.02610	0.66207	0.05867
(1/3,2/3,2/3) + set click here to show and hide
3	0.63596	0.66207	0.55867
4	0.35944	0.32873	0.72533
(2/3,1/3,1/3) + set click here to show and hide
5	0.96930	0.32873	0.22533
6	0.69277	0.99540	0.39200

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

Atom	x	y	z
1	0.00460	0.30723	0.89200
2	0.63596	0.97390	0.05867
(1/3,2/3,2/3) + set click here to show and hide
3	0.33793	0.97390	0.55867
4	0.96930	0.64056	0.72533
(2/3,1/3,1/3) + set click here to show and hide
5	0.67127	0.64056	0.22533
6	0.30263	0.30723	0.39200

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

Atom	x	y	z
1	0.69277	0.69737	0.89200
2	0.33793	0.36404	0.05867
(1/3,2/3,2/3) + set click here to show and hide
3	0.02610	0.36404	0.55867
4	0.67127	0.03070	0.72533
(2/3,1/3,1/3) + set click here to show and hide
5	0.35944	0.03070	0.22533
6	0.00460	0.69737	0.39200

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.68	6	m_x,m_y,m_z	2.15(2)	0.0	0.0	2.15
Fe2	Fe	0.00000	0.00000	0.28919	0.32	6	m_x,m_y,m_z	1.03(3)	0.0	0.0	1.03

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