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,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
(1/4,1/2,3/4) + set click here to show and hide
3	x+1/4,y+1/2,z+3/4,+1	{ 1 \| 1/4 1/2 3/4 }
4	-x+1/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/4 1/2 1/4 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
(3/4,1/2,1/4) + set click here to show and hide
7	x+3/4,y+1/2,z+1/4,+1	{ 1 \| 3/4 1/2 1/4 }
8	-x+3/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 3/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
(3/4,1/2,3/4)' + set click here to show and hide
11	x+3/4,y+1/2,z+3/4,-1	{ 1' \| 3/4 1/2 3/4 }
12	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
(1/4,1/2,1/4)' + set click here to show and hide
15	x+1/4,y+1/2,z+1/4,-1	{ 1' \| 1/4 1/2 1/4 }
16	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	8	m_x,0,m_z	-2.8	0.0	3.3	4.33

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sn1	Sn	0.00000	0.00000	0.25000	8
Cu1	Cu	0.00000	0.50000	0.12500	16
S1_1	S	0.12510	0.25020	0.31535	16
S1_2	S	0.87490	0.74980	0.31535	16

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	-2.80000	0.00000	3.30000
(1/4,1/2,3/4) + set click here to show and hide
2	0.25000	0.50000	0.75000	m_x,0,m_z	-2.80000	0.00000	3.30000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	m_x,0,m_z	-2.80000	0.00000	3.30000
(3/4,1/2,1/4) + set click here to show and hide
4	0.75000	0.50000	0.25000	m_x,0,m_z	-2.80000	0.00000	3.30000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.00000	0.00000	-m_x,0,-m_z	2.80000	0.00000	-3.30000
(3/4,1/2,3/4)' + set click here to show and hide
6	0.75000	0.50000	0.75000	-m_x,0,-m_z	2.80000	0.00000	-3.30000
(0,0,1/2)' + set click here to show and hide
7	0.00000	0.00000	0.50000	-m_x,0,-m_z	2.80000	0.00000	-3.30000
(1/4,1/2,1/4)' + set click here to show and hide
8	0.25000	0.50000	0.25000	-m_x,0,-m_z	2.80000	0.00000	-3.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sn1:

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

Set of atoms in the unit cell related by symmetry with the atom Cu1:

Atom	x	y	z
1	0.00000	0.50000	0.12500
2	0.00000	0.50000	0.37500
(1/4,1/2,3/4) + set click here to show and hide
3	0.25000	0.00000	0.87500
4	0.25000	0.00000	0.12500
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.50000	0.62500
6	0.50000	0.50000	0.87500
(3/4,1/2,1/4) + set click here to show and hide
7	0.75000	0.00000	0.37500
8	0.75000	0.00000	0.62500
(1/2,0,0)' + set click here to show and hide
9	0.50000	0.50000	0.12500
10	0.50000	0.50000	0.37500
(3/4,1/2,3/4)' + set click here to show and hide
11	0.75000	0.00000	0.87500
12	0.75000	0.00000	0.12500
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.50000	0.62500
14	0.00000	0.50000	0.87500
(1/4,1/2,1/4)' + set click here to show and hide
15	0.25000	0.00000	0.37500
16	0.25000	0.00000	0.62500

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

Atom	x	y	z
1	0.12510	0.25020	0.31535
2	0.87490	0.25020	0.18465
(1/4,1/2,3/4) + set click here to show and hide
3	0.37510	0.75020	0.06535
4	0.12490	0.75020	0.93465
(1/2,0,1/2) + set click here to show and hide
5	0.62510	0.25020	0.81535
6	0.37490	0.25020	0.68465
(3/4,1/2,1/4) + set click here to show and hide
7	0.87510	0.75020	0.56535
8	0.62490	0.75020	0.43465
(1/2,0,0)' + set click here to show and hide
9	0.62510	0.25020	0.31535
10	0.37490	0.25020	0.18465
(3/4,1/2,3/4)' + set click here to show and hide
11	0.87510	0.75020	0.06535
12	0.62490	0.75020	0.93465
(0,0,1/2)' + set click here to show and hide
13	0.12510	0.25020	0.81535
14	0.87490	0.25020	0.68465
(1/4,1/2,1/4)' + set click here to show and hide
15	0.37510	0.75020	0.56535
16	0.12490	0.75020	0.43465

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

Atom	x	y	z
1	0.87490	0.74980	0.31535
2	0.12510	0.74980	0.18465
(1/4,1/2,3/4) + set click here to show and hide
3	0.12490	0.24980	0.06535
4	0.37510	0.24980	0.93465
(1/2,0,1/2) + set click here to show and hide
5	0.37490	0.74980	0.81535
6	0.62510	0.74980	0.68465
(3/4,1/2,1/4) + set click here to show and hide
7	0.62490	0.24980	0.56535
8	0.87510	0.24980	0.43465
(1/2,0,0)' + set click here to show and hide
9	0.37490	0.74980	0.31535
10	0.62510	0.74980	0.18465
(3/4,1/2,3/4)' + set click here to show and hide
11	0.62490	0.24980	0.06535
12	0.87510	0.24980	0.93465
(0,0,1/2)' + set click here to show and hide
13	0.87490	0.74980	0.81535
14	0.12510	0.74980	0.68465
(1/4,1/2,1/4)' + set click here to show and hide
15	0.12490	0.24980	0.56535
16	0.37510	0.24980	0.43465

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	8	m_x,0,m_z	-2.8	0.0	3.3	4.33

label	dim. small irrep	dim. full irrep	action	number of modes
mN2	1	4	primary	2

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