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	3.05(9)	3.01(9)	1.2(2)	4.45

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cu1	Cu	0.25000	0.00000	0.25050	0.99	16
S1	S	0.00000	0.00000	0.17810	1.	16
Ba1	Ba	0.00000	0.00000	0.09650	1.	16
O1	O	0.00000	0.25000	0.50000	1.	8
O2	O	0.25000	0.00000	0.50000	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	3.05000	3.01000	1.20000
(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	3.05000	3.01000	1.20000
(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	3.05000	3.01000	1.20000
(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	3.05000	3.01000	1.20000
(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	-3.05000	-3.01000	-1.20000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-3.05000	-3.01000	-1.20000
(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	-3.05000	-3.01000	-1.20000
(1/2,0,0)' + set click here to show and hide
8	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-3.05000	-3.01000	-1.20000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25000	0.00000	0.25050
2	0.75000	0.00000	0.74950
(1/4,3/4,1/2) + set click here to show and hide
3	0.50000	0.75000	0.75050
4	0.00000	0.75000	0.24950
(1/2,1/2,0) + set click here to show and hide
5	0.75000	0.50000	0.25050
6	0.25000	0.50000	0.74950
(3/4,1/4,1/2) + set click here to show and hide
7	0.00000	0.25000	0.75050
8	0.50000	0.25000	0.24950
(3/4,3/4,1/2)' + set click here to show and hide
9	0.00000	0.75000	0.75050
10	0.50000	0.75000	0.24950
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.50000	0.25050
12	0.75000	0.50000	0.74950
(1/4,1/4,1/2)' + set click here to show and hide
13	0.50000	0.25000	0.75050
14	0.00000	0.25000	0.24950
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.00000	0.25050
16	0.25000	0.00000	0.74950

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

Atom	x	y	z
1	0.00000	0.00000	0.17810
2	0.00000	0.00000	0.82190
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.67810
4	0.25000	0.75000	0.32190
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.17810
6	0.50000	0.50000	0.82190
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.67810
8	0.75000	0.25000	0.32190
(3/4,3/4,1/2)' + set click here to show and hide
9	0.75000	0.75000	0.67810
10	0.75000	0.75000	0.32190
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.17810
12	0.00000	0.50000	0.82190
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.67810
14	0.25000	0.25000	0.32190
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.17810
16	0.50000	0.00000	0.82190

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.09650
2	0.00000	0.00000	0.90350
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.59650
4	0.25000	0.75000	0.40350
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.09650
6	0.50000	0.50000	0.90350
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.59650
8	0.75000	0.25000	0.40350
(3/4,3/4,1/2)' + set click here to show and hide
9	0.75000	0.75000	0.59650
10	0.75000	0.75000	0.40350
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.50000	0.09650
12	0.00000	0.50000	0.90350
(1/4,1/4,1/2)' + set click here to show and hide
13	0.25000	0.25000	0.59650
14	0.25000	0.25000	0.40350
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.09650
16	0.50000	0.00000	0.90350

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

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

Set of atoms in the unit cell related by symmetry with the atom O2:

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

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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	3.05(9)	3.01(9)	1.2(2)	4.45

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