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 }
(1/2,1/2,0) + set click here to show and hide
3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀

Magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.73450	0.11310	1.	4	m_x,m_y,m_z	1.6(1)	1.5(2)	3.2(1)	3.88
Fe1_2	Fe	0.73450	0.38690	1.	4	m_x,m_y,m_z	-1.6(1)	1.5(2)	-3.2(1)	3.88
Fe2	Fe	0.00000	0.00000	0.995	4	m_x,m_y,m_z	-1.7(1)	-1.0(2)	-2.4(1)	3.11
Mn1	Mn	0.48120	0.25000	0.937	4	m_x,m_y,m_z	0.0	-2.6(3)	1.7(4)	3.11

Non-magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity
Mn2	Mn	0.00000	0.00000	0.005	4
Fe3	Fe	0.48120	0.25000	0.063	4
O1	O	0.81880	0.25000	1.	4
O2_1	O	0.34690	0.04730	1.	4
O2_2	O	0.34690	0.45270	1.	4
O3_1	O	0.09920	0.14100	1.	4
O3_2	O	0.09920	0.35900	1.	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.73450	0.11310	m_x,m_y,m_z	1.60000	1.50000	3.20000
2	0.00000	0.26550	0.61310	-m_x,m_y,-m_z	-1.60000	1.50000	-3.20000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.23450	0.11310	m_x,m_y,m_z	1.60000	1.50000	3.20000
4	0.50000	0.76550	0.61310	-m_x,m_y,-m_z	-1.60000	1.50000	-3.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.73450	0.38690	m_x,m_y,m_z	-1.60000	1.50000	-3.20000
2	0.00000	0.26550	0.88690	-m_x,m_y,-m_z	1.60000	1.50000	3.20000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.23450	0.38690	m_x,m_y,m_z	-1.60000	1.50000	-3.20000
4	0.50000	0.76550	0.88690	-m_x,m_y,-m_z	1.60000	1.50000	3.20000

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	m_x,m_y,m_z	-1.70000	-1.00000	-2.40000
2	0.00000	0.00000	0.50000	-m_x,m_y,-m_z	1.70000	-1.00000	2.40000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,m_y,m_z	-1.70000	-1.00000	-2.40000
4	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	1.70000	-1.00000	2.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.48120	0.25000	m_x,m_y,m_z	0.00000	-2.60000	1.70000
2	0.00000	0.51880	0.75000	-m_x,m_y,-m_z	0.00000	-2.60000	-1.70000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.98120	0.25000	m_x,m_y,m_z	0.00000	-2.60000	1.70000
4	0.50000	0.01880	0.75000	-m_x,m_y,-m_z	0.00000	-2.60000	-1.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mn2:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000
4	0.50000	0.50000	0.50000

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

Atom	x	y	z
1	0.00000	0.48120	0.25000
2	0.00000	0.51880	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.98120	0.25000
4	0.50000	0.01880	0.75000

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

Atom	x	y	z
1	0.00000	0.81880	0.25000
2	0.00000	0.18120	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.31880	0.25000
4	0.50000	0.68120	0.75000

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

Atom	x	y	z
1	0.00000	0.34690	0.04730
2	0.00000	0.65310	0.54730
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84690	0.04730
4	0.50000	0.15310	0.54730

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

Atom	x	y	z
1	0.00000	0.34690	0.45270
2	0.00000	0.65310	0.95270
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84690	0.45270
4	0.50000	0.15310	0.95270

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

Atom	x	y	z
1	0.00000	0.09920	0.14100
2	0.00000	0.90080	0.64100
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.59920	0.14100
4	0.50000	0.40080	0.64100

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

Atom	x	y	z
1	0.00000	0.09920	0.35900
2	0.00000	0.90080	0.85900
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.59920	0.35900
4	0.50000	0.40080	0.85900

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Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.73450	0.11310	1.	4	m_x,m_y,m_z	1.6(1)	1.5(2)	3.2(1)	3.88
Fe1_2	Fe	0.73450	0.38690	1.	4	m_x,m_y,m_z	-1.6(1)	1.5(2)	-3.2(1)	3.88
Fe2	Fe	0.00000	0.00000	0.995	4	m_x,m_y,m_z	-1.7(1)	-1.0(2)	-2.4(1)	3.11
Mn1	Mn	0.48120	0.25000	0.937	4	m_x,m_y,m_z	0.0	-2.6(3)	1.7(4)	3.11

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