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 }
(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+1/2,+1	{ -1 \| 0 1/2 1/2 }
(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+1/2,-1	{ -1' \| 0 0 1/2 }
(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	{ -1' \| 0 1/2 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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	3.00(11)	1.9(2)	3.4(2)	4.91
Mn1_2	Mn	0.00000	0.25000	0.25000	4	m_x,m_y,m_z	-3.00(11)	1.9(2)	-3.4(2)	4.91

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1_1	Ca	0.98770	0.02675	0.12710	8
Ca1_2	Ca	0.51230	0.27675	0.12290	8
W1_1	W	0.50000	0.00000	0.25000	4
W1_2	W	0.00000	0.25000	0.00000	4
O1_1	O	0.09690	0.23255	0.11770	8
O1_2	O	0.40310	0.48255	0.13230	8
O2_1	O	0.71410	0.15680	0.02265	8
O2_2	O	0.78590	0.40680	0.22735	8
O3_1	O	0.18200	0.10925	0.47225	8
O3_2	O	0.31800	0.35925	0.77775	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	0.00000	m_x,m_y,m_z	3.00000	1.90000	3.40000
(0,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	m_x,m_y,m_z	3.00000	1.90000	3.40000
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	-3.00000	-1.90000	-3.40000
(0,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	-3.00000	-1.90000	-3.40000

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	0.25000	m_x,m_y,m_z	-3.00000	1.90000	-3.40000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.75000	0.75000	m_x,m_y,m_z	-3.00000	1.90000	-3.40000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.25000	0.75000	-m_x,-m_y,-m_z	3.00000	-1.90000	3.40000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.75000	0.25000	-m_x,-m_y,-m_z	3.00000	-1.90000	3.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.98770	0.02675	0.12710
2	0.01230	0.97325	0.87290
(0,1/2,1/2) + set click here to show and hide
3	0.98770	0.52675	0.62710
4	0.01230	0.47325	0.37290
(0,0,1/2)' + set click here to show and hide
5	0.98770	0.02675	0.62710
6	0.01230	0.97325	0.37290
(0,1/2,0)' + set click here to show and hide
7	0.98770	0.52675	0.12710
8	0.01230	0.47325	0.87290

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

Atom	x	y	z
1	0.51230	0.27675	0.12290
2	0.48770	0.72325	0.87710
(0,1/2,1/2) + set click here to show and hide
3	0.51230	0.77675	0.62290
4	0.48770	0.22325	0.37710
(0,0,1/2)' + set click here to show and hide
5	0.51230	0.27675	0.62290
6	0.48770	0.72325	0.37710
(0,1/2,0)' + set click here to show and hide
7	0.51230	0.77675	0.12290
8	0.48770	0.22325	0.87710

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

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

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

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

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

Atom	x	y	z
1	0.09690	0.23255	0.11770
2	0.90310	0.76745	0.88230
(0,1/2,1/2) + set click here to show and hide
3	0.09690	0.73255	0.61770
4	0.90310	0.26745	0.38230
(0,0,1/2)' + set click here to show and hide
5	0.09690	0.23255	0.61770
6	0.90310	0.76745	0.38230
(0,1/2,0)' + set click here to show and hide
7	0.09690	0.73255	0.11770
8	0.90310	0.26745	0.88230

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

Atom	x	y	z
1	0.40310	0.48255	0.13230
2	0.59690	0.51745	0.86770
(0,1/2,1/2) + set click here to show and hide
3	0.40310	0.98255	0.63230
4	0.59690	0.01745	0.36770
(0,0,1/2)' + set click here to show and hide
5	0.40310	0.48255	0.63230
6	0.59690	0.51745	0.36770
(0,1/2,0)' + set click here to show and hide
7	0.40310	0.98255	0.13230
8	0.59690	0.01745	0.86770

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

Atom	x	y	z
1	0.71410	0.15680	0.02265
2	0.28590	0.84320	0.97735
(0,1/2,1/2) + set click here to show and hide
3	0.71410	0.65680	0.52265
4	0.28590	0.34320	0.47735
(0,0,1/2)' + set click here to show and hide
5	0.71410	0.15680	0.52265
6	0.28590	0.84320	0.47735
(0,1/2,0)' + set click here to show and hide
7	0.71410	0.65680	0.02265
8	0.28590	0.34320	0.97735

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

Atom	x	y	z
1	0.78590	0.40680	0.22735
2	0.21410	0.59320	0.77265
(0,1/2,1/2) + set click here to show and hide
3	0.78590	0.90680	0.72735
4	0.21410	0.09320	0.27265
(0,0,1/2)' + set click here to show and hide
5	0.78590	0.40680	0.72735
6	0.21410	0.59320	0.27265
(0,1/2,0)' + set click here to show and hide
7	0.78590	0.90680	0.22735
8	0.21410	0.09320	0.77265

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

Atom	x	y	z
1	0.18200	0.10925	0.47225
2	0.81800	0.89075	0.52775
(0,1/2,1/2) + set click here to show and hide
3	0.18200	0.60925	0.97225
4	0.81800	0.39075	0.02775
(0,0,1/2)' + set click here to show and hide
5	0.18200	0.10925	0.97225
6	0.81800	0.89075	0.02775
(0,1/2,0)' + set click here to show and hide
7	0.18200	0.60925	0.47225
8	0.81800	0.39075	0.52775

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

Atom	x	y	z
1	0.31800	0.35925	0.77775
2	0.68200	0.64075	0.22225
(0,1/2,1/2) + set click here to show and hide
3	0.31800	0.85925	0.27775
4	0.68200	0.14075	0.72225
(0,0,1/2)' + set click here to show and hide
5	0.31800	0.35925	0.27775
6	0.68200	0.64075	0.72225
(0,1/2,0)' + set click here to show and hide
7	0.31800	0.85925	0.77775
8	0.68200	0.14075	0.22225

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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	0.00000	4	m_x,m_y,m_z	3.00(11)	1.9(2)	3.4(2)	4.91
Mn1_2	Mn	0.00000	0.25000	0.25000	4	m_x,m_y,m_z	-3.00(11)	1.9(2)	-3.4(2)	4.91

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