MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
8	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

Magnetic atoms:

Label	Atom type	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.50518	0.25000	4	0,m_y,m_z	-3.	3.00
Fe2	Fe	0.00000	0.00000	4	0,m_y,m_z	3.	3.00
Fe3_1	Fe	0.26037	0.11742	4	0,m_y,m_z	3.	3.00
Fe3_2	Fe	0.26037	0.38258	4	0,m_y,m_z	3.	3.00

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
O1_1	O	0.35900	0.54417	4
O1_2	O	0.35900	0.95583	4
O2	O	0.16010	0.25000	4
O3_1	O	0.09300	0.64222	4
O3_2	O	0.09300	0.85778	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_x	M_y	M_z
1	0.00000	0.50518	0.25000	0,m_y,m_z	0.00000	0.00000	-3.00000
2	0.00000	0.49482	0.75000	0,m_y,-m_z	0.00000	0.00000	3.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.00518	0.25000	0,m_y,m_z	0.00000	0.00000	-3.00000
4	0.50000	0.99482	0.75000	0,m_y,-m_z	0.00000	0.00000	3.00000

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	0.00000	0,m_y,m_z	0.00000	0.00000	3.00000
2	0.00000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	-3.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	3.00000
4	0.50000	0.50000	0.50000	0,m_y,-m_z	0.00000	0.00000	-3.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.26037	0.11742	0,m_y,m_z	0.00000	0.00000	3.00000
2	0.00000	0.73963	0.61742	0,m_y,-m_z	0.00000	0.00000	-3.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.76037	0.11742	0,m_y,m_z	0.00000	0.00000	3.00000
4	0.50000	0.23963	0.61742	0,m_y,-m_z	0.00000	0.00000	-3.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.26037	0.38258	0,m_y,m_z	0.00000	0.00000	3.00000
2	0.00000	0.73963	0.88258	0,m_y,-m_z	0.00000	0.00000	-3.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.76037	0.38258	0,m_y,m_z	0.00000	0.00000	3.00000
4	0.50000	0.23963	0.88258	0,m_y,-m_z	0.00000	0.00000	-3.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.35900	0.54417
2	0.00000	0.64100	0.04417
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3	0.50000	0.85900	0.54417
4	0.50000	0.14100	0.04417

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

Atom	x	y	z
1	0.00000	0.35900	0.95583
2	0.00000	0.64100	0.45583
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.85900	0.95583
4	0.50000	0.14100	0.45583

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

Atom	x	y	z
1	0.00000	0.16010	0.25000
2	0.00000	0.83990	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.66010	0.25000
4	0.50000	0.33990	0.75000

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

Atom	x	y	z
1	0.00000	0.09300	0.64222
2	0.00000	0.90700	0.14222
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.59300	0.64222
4	0.50000	0.40700	0.14222

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

Atom	x	y	z
1	0.00000	0.09300	0.85778
2	0.00000	0.90700	0.35778
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.59300	0.85778
4	0.50000	0.40700	0.35778

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Label	Atom type	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.50518	0.25000	4	0,m_y,m_z	-3.	3.00
Fe2	Fe	0.00000	0.00000	4	0,m_y,m_z	3.	3.00
Fe3_1	Fe	0.26037	0.11742	4	0,m_y,m_z	3.	3.00
Fe3_2	Fe	0.26037	0.38258	4	0,m_y,m_z	3.	3.00

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