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

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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	1.	8	m_x,m_y,m_z	2.94(7)	2.39(8)	0.4(5)	3.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cu1	Cu	0.00000	0.25000	0.25000	0.985	16
S1	S	0.00000	0.00000	0.17110	1.	16
Sr1	Sr	0.00000	0.00000	0.90703	1.	16
O1_1	O	0.00000	0.25000	0.00000	1.	8
O1_2	O	0.25000	0.00000	0.00000	1.	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 Co1:

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	2.94000	2.39000	0.40000
(1/4,3/4,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000	m_x,m_y,m_z	2.94000	2.39000	0.40000
(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	2.94000	2.39000	0.40000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.50000	m_x,m_y,m_z	2.94000	2.39000	0.40000
(3/4,3/4,1/2)' + set click here to show and hide
5	0.75000	0.75000	0.50000	-m_x,-m_y,-m_z	-2.94000	-2.39000	-0.40000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-2.94000	-2.39000	-0.40000
(1/4,1/4,1/2)' + set click here to show and hide
7	0.25000	0.25000	0.50000	-m_x,-m_y,-m_z	-2.94000	-2.39000	-0.40000
(1/2,0,0)' + set click here to show and hide
8	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-2.94000	-2.39000	-0.40000

Non-magnetic atoms:

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

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

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.00000	0.00000	0.17110
2	0.00000	0.00000	0.82890
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.67110
4	0.25000	0.75000	0.32890
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.17110
6	0.50000	0.50000	0.82890
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.67110
8	0.75000	0.25000	0.32890
(3/4,3/4,1/2)' + set click here to show and hide
9	0.75000	0.75000	0.67110
10	0.75000	0.75000	0.32890
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.17110
12	0.00000	0.50000	0.82890
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.67110
14	0.25000	0.25000	0.32890
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.17110
16	0.50000	0.00000	0.82890

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.00000	0.90703
2	0.00000	0.00000	0.09297
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.40703
4	0.25000	0.75000	0.59297
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.90703
6	0.50000	0.50000	0.09297
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.40703
8	0.75000	0.25000	0.59297
(3/4,3/4,1/2)' + set click here to show and hide
9	0.75000	0.75000	0.40703
10	0.75000	0.75000	0.59297
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.90703
12	0.00000	0.50000	0.09297
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.40703
14	0.25000	0.25000	0.59297
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.90703
16	0.50000	0.00000	0.09297

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

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

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

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	2.94(7)	2.39(8)	0.4(5)	3.81

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