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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
1' + set click here to show and hide
2	x,y,z,-1	1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	3.1	1.7	0.0	3.54

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.00000	0.00000	0.25000	8
Cu1_1	Cu	0.00000	0.50000	0.12500	8
Cu1_2	Cu	0.00000	0.50000	0.37500	8
S1_1	S	0.12950	0.25900	0.43775	8
S1_2	S	0.87050	0.74100	0.43775	8
S1_3	S	0.12950	0.74100	0.56225	8
S1_4	S	0.87050	0.25900	0.56225	8

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	3.10000	1.70000	0.00000
(1/4,1/2,3/4)' + set click here to show and hide
2	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	-3.10000	-1.70000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,m_y,m_z	3.10000	1.70000	0.00000
(3/4,1/2,1/4)' + set click here to show and hide
4	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	-3.10000	-1.70000	0.00000
(1/4,1/2,1/4) + set click here to show and hide
5	0.25000	0.50000	0.25000	m_x,m_y,m_z	3.10000	1.70000	0.00000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-3.10000	-1.70000	0.00000
(3/4,1/2,3/4) + set click here to show and hide
7	0.75000	0.50000	0.75000	m_x,m_y,m_z	3.10000	1.70000	0.00000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-3.10000	-1.70000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(1/4,1/2,3/4)' + set click here to show and hide
2	0.25000	0.50000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000
(3/4,1/2,1/4)' + set click here to show and hide
4	0.75000	0.50000	0.50000
(1/4,1/2,1/4) + set click here to show and hide
5	0.25000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.00000	0.25000
(3/4,1/2,3/4) + set click here to show and hide
7	0.75000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.00000	0.50000	0.12500
(1/4,1/2,3/4)' + set click here to show and hide
2	0.25000	0.00000	0.87500
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.62500
(3/4,1/2,1/4)' + set click here to show and hide
4	0.75000	0.00000	0.37500
(1/4,1/2,1/4) + set click here to show and hide
5	0.25000	0.00000	0.37500
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.50000	0.12500
(3/4,1/2,3/4) + set click here to show and hide
7	0.75000	0.00000	0.87500
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.50000	0.62500

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.00000	0.50000	0.37500
(1/4,1/2,3/4)' + set click here to show and hide
2	0.25000	0.00000	0.12500
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.87500
(3/4,1/2,1/4)' + set click here to show and hide
4	0.75000	0.00000	0.62500
(1/4,1/2,1/4) + set click here to show and hide
5	0.25000	0.00000	0.62500
(1/2,0,0)' + set click here to show and hide
6	0.50000	0.50000	0.37500
(3/4,1/2,3/4) + set click here to show and hide
7	0.75000	0.00000	0.12500
(0,0,1/2)' + set click here to show and hide
8	0.00000	0.50000	0.87500

Set of atoms in the unit cell related by symmetry with the atom S1_1:

Atom	x	y	z
1	0.12950	0.25900	0.43775
(1/4,1/2,3/4)' + set click here to show and hide
2	0.37950	0.75900	0.18775
(1/2,0,1/2) + set click here to show and hide
3	0.62950	0.25900	0.93775
(3/4,1/2,1/4)' + set click here to show and hide
4	0.87950	0.75900	0.68775
(1/4,1/2,1/4) + set click here to show and hide
5	0.37950	0.75900	0.68775
(1/2,0,0)' + set click here to show and hide
6	0.62950	0.25900	0.43775
(3/4,1/2,3/4) + set click here to show and hide
7	0.87950	0.75900	0.18775
(0,0,1/2)' + set click here to show and hide
8	0.12950	0.25900	0.93775

Set of atoms in the unit cell related by symmetry with the atom S1_2:

Atom	x	y	z
1	0.87050	0.74100	0.43775
(1/4,1/2,3/4)' + set click here to show and hide
2	0.12050	0.24100	0.18775
(1/2,0,1/2) + set click here to show and hide
3	0.37050	0.74100	0.93775
(3/4,1/2,1/4)' + set click here to show and hide
4	0.62050	0.24100	0.68775
(1/4,1/2,1/4) + set click here to show and hide
5	0.12050	0.24100	0.68775
(1/2,0,0)' + set click here to show and hide
6	0.37050	0.74100	0.43775
(3/4,1/2,3/4) + set click here to show and hide
7	0.62050	0.24100	0.18775
(0,0,1/2)' + set click here to show and hide
8	0.87050	0.74100	0.93775

Set of atoms in the unit cell related by symmetry with the atom S1_3:

Atom	x	y	z
1	0.12950	0.74100	0.56225
(1/4,1/2,3/4)' + set click here to show and hide
2	0.37950	0.24100	0.31225
(1/2,0,1/2) + set click here to show and hide
3	0.62950	0.74100	0.06225
(3/4,1/2,1/4)' + set click here to show and hide
4	0.87950	0.24100	0.81225
(1/4,1/2,1/4) + set click here to show and hide
5	0.37950	0.24100	0.81225
(1/2,0,0)' + set click here to show and hide
6	0.62950	0.74100	0.56225
(3/4,1/2,3/4) + set click here to show and hide
7	0.87950	0.24100	0.31225
(0,0,1/2)' + set click here to show and hide
8	0.12950	0.74100	0.06225

Set of atoms in the unit cell related by symmetry with the atom S1_4:

Atom	x	y	z
1	0.87050	0.25900	0.56225
(1/4,1/2,3/4)' + set click here to show and hide
2	0.12050	0.75900	0.31225
(1/2,0,1/2) + set click here to show and hide
3	0.37050	0.25900	0.06225
(3/4,1/2,1/4)' + set click here to show and hide
4	0.62050	0.75900	0.81225
(1/4,1/2,1/4) + set click here to show and hide
5	0.12050	0.75900	0.81225
(1/2,0,0)' + set click here to show and hide
6	0.37050	0.25900	0.56225
(3/4,1/2,3/4) + set click here to show and hide
7	0.62050	0.75900	0.31225
(0,0,1/2)' + set click here to show and hide
8	0.87050	0.25900	0.06225

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	3.1	1.7	0.0	3.54

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