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 }
(1/4,1/4,0) + set click here to show and hide
3	x+1/4,y+1/4,z,+1	{ 1 \| 1/4 1/4 0 }
4	-x+1/4,-y+1/4,-z,+1	{ -1 \| 1/4 1/4 0 }
(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 }
(3/4,3/4,0) + set click here to show and hide
7	x+3/4,y+3/4,z,+1	{ 1 \| 3/4 3/4 0 }
8	-x+3/4,-y+3/4,-z,+1	{ -1 \| 3/4 3/4 0 }
(3/4,1/4,0)' + set click here to show and hide
9	x+3/4,y+1/4,z,-1	{ 1' \| 3/4 1/4 0 }
10	-x+3/4,-y+1/4,-z,-1	{ -1' \| 3/4 1/4 0 }
(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 }
(1/4,3/4,0)' + set click here to show and hide
13	x+1/4,y+3/4,z,-1	{ 1' \| 1/4 3/4 0 }
14	-x+1/4,-y+3/4,-z,-1	{ -1' \| 1/4 3/4 0 }
(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\|
Mn1	Mn	0.00000	0.00000	0.00000	0.932(5)	8	m_x,m_y,m_z	1.8(2)	0.0	1.4(3)	1.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cu1	Cu	0.00000	0.25000	0.50000	1.00	8
Cu2	Cu	0.00000	0.00000	0.00000	0.068	8
O1	O	0.20349	0.00000	0.1763	1.	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,m_y,m_z	1.80000	0.00000	1.40000
(1/4,1/4,0) + set click here to show and hide
2	0.25000	0.25000	0.00000	m_x,m_y,m_z	1.80000	0.00000	1.40000
(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	1.80000	0.00000	1.40000
(3/4,3/4,0) + set click here to show and hide
4	0.75000	0.75000	0.00000	m_x,m_y,m_z	1.80000	0.00000	1.40000
(3/4,1/4,0)' + set click here to show and hide
5	0.75000	0.25000	0.00000	-m_x,-m_y,-m_z	-1.80000	0.00000	-1.40000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-1.80000	0.00000	-1.40000
(1/4,3/4,0)' + set click here to show and hide
7	0.25000	0.75000	0.00000	-m_x,-m_y,-m_z	-1.80000	0.00000	-1.40000
(1/2,0,0)' + set click here to show and hide
8	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.80000	0.00000	-1.40000

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	0.50000
(1/4,1/4,0) + set click here to show and hide
2	0.25000	0.50000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.75000	0.50000
(3/4,3/4,0) + set click here to show and hide
4	0.75000	0.00000	0.50000
(3/4,1/4,0)' + set click here to show and hide
5	0.75000	0.50000	0.50000
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.75000	0.50000
(1/4,3/4,0)' + set click here to show and hide
7	0.25000	0.00000	0.50000
(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 Cu2:

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

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

Atom	x	y	z
1	0.20349	0.00000	0.17630
2	0.79651	0.00000	0.82370
(1/4,1/4,0) + set click here to show and hide
3	0.45349	0.25000	0.17630
4	0.04651	0.25000	0.82370
(1/2,1/2,0) + set click here to show and hide
5	0.70349	0.50000	0.17630
6	0.29651	0.50000	0.82370
(3/4,3/4,0) + set click here to show and hide
7	0.95349	0.75000	0.17630
8	0.54651	0.75000	0.82370
(3/4,1/4,0)' + set click here to show and hide
9	0.95349	0.25000	0.17630
10	0.54651	0.25000	0.82370
(0,1/2,0)' + set click here to show and hide
11	0.20349	0.50000	0.17630
12	0.79651	0.50000	0.82370
(1/4,3/4,0)' + set click here to show and hide
13	0.45349	0.75000	0.17630
14	0.04651	0.75000	0.82370
(1/2,0,0)' + set click here to show and hide
15	0.70349	0.00000	0.17630
16	0.29651	0.00000	0.82370

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.932(5)	8	m_x,m_y,m_z	1.8(2)	0.0	1.4(3)	1.99

label	dim. small irrep	dim. full irrep	action	number of modes
mV1-	1	2	primary	3

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