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

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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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.50000	0.00000	0.25000	4	m_x,m_y,m_z	-1.08(13)	-0.94(7)	-3.20(4)	3.50
Mn1_2	Mn	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	1.08(13)	0.94(7)	3.20(4)	3.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1_1	Ca	0.01360	0.47245	0.12385	8
Ca1_2	Ca	0.48640	0.72245	0.12615	8
W1_1	W	0.50000	0.00000	0.00000	4
W1_2	W	0.00000	0.25000	0.25000	4
O1_1	O	0.21430	0.09330	0.02325	8
O1_2	O	0.28570	0.34330	0.22675	8
O2_1	O	0.18130	0.10890	0.22160	8
O2_2	O	0.31870	0.35890	0.02840	8
O3_1	O	0.59850	0.01865	0.11735	8
O3_2	O	0.90150	0.26865	0.13265	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.25000	m_x,m_y,m_z	-1.08000	-0.94000	-3.20000
(0,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.75000	m_x,m_y,m_z	-1.08000	-0.94000	-3.20000
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.75000	-m_x,-m_y,-m_z	1.08000	0.94000	3.20000
(0,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.25000	-m_x,-m_y,-m_z	1.08000	0.94000	3.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.00000	m_x,m_y,m_z	1.08000	0.94000	3.20000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.50000	m_x,m_y,m_z	1.08000	0.94000	3.20000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.25000	0.50000	-m_x,-m_y,-m_z	-1.08000	-0.94000	-3.20000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.75000	0.00000	-m_x,-m_y,-m_z	-1.08000	-0.94000	-3.20000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.01360	0.47245	0.12385
2	0.98640	0.52755	0.37615
(0,1/2,1/2) + set click here to show and hide
3	0.01360	0.97245	0.62385
4	0.98640	0.02755	0.87615
(0,0,1/2)' + set click here to show and hide
5	0.01360	0.47245	0.62385
6	0.98640	0.52755	0.87615
(0,1/2,0)' + set click here to show and hide
7	0.01360	0.97245	0.12385
8	0.98640	0.02755	0.37615

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.48640	0.72245	0.12615
2	0.51360	0.27755	0.37385
(0,1/2,1/2) + set click here to show and hide
3	0.48640	0.22245	0.62615
4	0.51360	0.77755	0.87385
(0,0,1/2)' + set click here to show and hide
5	0.48640	0.72245	0.62615
6	0.51360	0.27755	0.87385
(0,1/2,0)' + set click here to show and hide
7	0.48640	0.22245	0.12615
8	0.51360	0.77755	0.37385

Set of atoms in the unit cell related by symmetry with the atom W1_1:

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

Set of atoms in the unit cell related by symmetry with the atom W1_2:

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

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

Atom	x	y	z
1	0.21430	0.09330	0.02325
2	0.78570	0.90670	0.47675
(0,1/2,1/2) + set click here to show and hide
3	0.21430	0.59330	0.52325
4	0.78570	0.40670	0.97675
(0,0,1/2)' + set click here to show and hide
5	0.21430	0.09330	0.52325
6	0.78570	0.90670	0.97675
(0,1/2,0)' + set click here to show and hide
7	0.21430	0.59330	0.02325
8	0.78570	0.40670	0.47675

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

Atom	x	y	z
1	0.28570	0.34330	0.22675
2	0.71430	0.65670	0.27325
(0,1/2,1/2) + set click here to show and hide
3	0.28570	0.84330	0.72675
4	0.71430	0.15670	0.77325
(0,0,1/2)' + set click here to show and hide
5	0.28570	0.34330	0.72675
6	0.71430	0.65670	0.77325
(0,1/2,0)' + set click here to show and hide
7	0.28570	0.84330	0.22675
8	0.71430	0.15670	0.27325

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.18130	0.10890	0.22160
2	0.81870	0.89110	0.27840
(0,1/2,1/2) + set click here to show and hide
3	0.18130	0.60890	0.72160
4	0.81870	0.39110	0.77840
(0,0,1/2)' + set click here to show and hide
5	0.18130	0.10890	0.72160
6	0.81870	0.89110	0.77840
(0,1/2,0)' + set click here to show and hide
7	0.18130	0.60890	0.22160
8	0.81870	0.39110	0.27840

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.31870	0.35890	0.02840
2	0.68130	0.64110	0.47160
(0,1/2,1/2) + set click here to show and hide
3	0.31870	0.85890	0.52840
4	0.68130	0.14110	0.97160
(0,0,1/2)' + set click here to show and hide
5	0.31870	0.35890	0.52840
6	0.68130	0.64110	0.97160
(0,1/2,0)' + set click here to show and hide
7	0.31870	0.85890	0.02840
8	0.68130	0.14110	0.47160

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.59850	0.01865	0.11735
2	0.40150	0.98135	0.38265
(0,1/2,1/2) + set click here to show and hide
3	0.59850	0.51865	0.61735
4	0.40150	0.48135	0.88265
(0,0,1/2)' + set click here to show and hide
5	0.59850	0.01865	0.61735
6	0.40150	0.98135	0.88265
(0,1/2,0)' + set click here to show and hide
7	0.59850	0.51865	0.11735
8	0.40150	0.48135	0.38265

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.90150	0.26865	0.13265
2	0.09850	0.73135	0.36735
(0,1/2,1/2) + set click here to show and hide
3	0.90150	0.76865	0.63265
4	0.09850	0.23135	0.86735
(0,0,1/2)' + set click here to show and hide
5	0.90150	0.26865	0.63265
6	0.09850	0.73135	0.86735
(0,1/2,0)' + set click here to show and hide
7	0.90150	0.76865	0.13265
8	0.09850	0.23135	0.36735

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.50000	0.00000	0.25000	4	m_x,m_y,m_z	-1.08(13)	-0.94(7)	-3.20(4)	3.50
Mn1_2	Mn	0.00000	0.25000	0.00000	4	m_x,m_y,m_z	1.08(13)	0.94(7)	3.20(4)	3.50

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mD1+D2+	2	2	general	primary	6

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