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	Fe3+	0.00000	0.00000	0.25790	0.46	6	m_x,m_y,m_z	2.72(4)	0.0	0.0	2.72
Fe2	Fe3+	0.00000	0.00000	0.04768	0.54	6	m_x,m_y,m_z	-2.72(4)	0.0	0.0	2.72

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1_1	O	0.34230	0.97393	0.81757	1.0	6
O1_2	O	0.02607	0.36837	0.81757	1.0	6
O1_3	O	0.63163	0.65770	0.81757	1.0	6
Sc1	Sc	0.00000	0.00000	0.04768	0.46	6
Sc2	Sc	0.00000	0.00000	0.25790	0.54	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	0.25790	m_x,m_y,m_z	2.72000	0.00000	0.00000
2	0.33333	0.66667	0.42457	-m_x+m_y,m_y,m_z	-2.72000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.92457	m_x,m_y,m_z	2.72000	0.00000	0.00000
4	0.66667	0.33333	0.09123	-m_x+m_y,m_y,m_z	-2.72000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.59123	m_x,m_y,m_z	2.72000	0.00000	0.00000
6	0.00000	0.00000	0.75790	-m_x+m_y,m_y,m_z	-2.72000	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	0.04768	m_x,m_y,m_z	-2.72000	0.00000	0.00000
2	0.33333	0.66667	0.21435	-m_x+m_y,m_y,m_z	2.72000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.71435	m_x,m_y,m_z	-2.72000	0.00000	0.00000
4	0.66667	0.33333	0.88101	-m_x+m_y,m_y,m_z	2.72000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.38101	m_x,m_y,m_z	-2.72000	0.00000	0.00000
6	0.00000	0.00000	0.54768	-m_x+m_y,m_y,m_z	2.72000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.34230	0.97393	0.81757
2	0.96496	0.64060	0.98424
(1/3,2/3,2/3) + set click here to show and hide
3	0.67563	0.64060	0.48424
4	0.29830	0.30726	0.65090
(2/3,1/3,1/3) + set click here to show and hide
5	0.00897	0.30726	0.15090
6	0.63163	0.97393	0.31757

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

Atom	x	y	z
1	0.02607	0.36837	0.81757
2	0.67563	0.03504	0.98424
(1/3,2/3,2/3) + set click here to show and hide
3	0.35940	0.03504	0.48424
4	0.00897	0.70170	0.65090
(2/3,1/3,1/3) + set click here to show and hide
5	0.69274	0.70170	0.15090
6	0.34230	0.36837	0.31757

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

Atom	x	y	z
1	0.63163	0.65770	0.81757
2	0.35940	0.32437	0.98424
(1/3,2/3,2/3) + set click here to show and hide
3	0.96496	0.32437	0.48424
4	0.69274	0.99103	0.65090
(2/3,1/3,1/3) + set click here to show and hide
5	0.29830	0.99103	0.15090
6	0.02607	0.65770	0.31757

Set of atoms in the unit cell related by symmetry with the atom Sc1:

Atom	x	y	z
1	0.00000	0.00000	0.04768
2	0.33333	0.66667	0.21435
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.71435
4	0.66667	0.33333	0.88101
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.38101
6	0.00000	0.00000	0.54768

Set of atoms in the unit cell related by symmetry with the atom Sc2:

Atom	x	y	z
1	0.00000	0.00000	0.25790
2	0.33333	0.66667	0.42457
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.92457
4	0.66667	0.33333	0.09123
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.59123
6	0.00000	0.00000	0.75790

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe3+	0.00000	0.00000	0.25790	0.46	6	m_x,m_y,m_z	2.72(4)	0.0	0.0	2.72
Fe2	Fe3+	0.00000	0.00000	0.04768	0.54	6	m_x,m_y,m_z	-2.72(4)	0.0	0.0	2.72

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