MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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Symmetry operations of the magnetic point group in the setting used:

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'

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.3(2)	0.0	1.4(2)	1.93

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
W1	W	0.13215	0.53370	0.33245	8
O1	O	0.48390	0.24210	0.46155	8
O2	O	0.25680	0.74990	0.40500	8
O3	O	0.27410	0.72180	0.16495	8
O4	O	0.02185	0.72760	0.27150	8
Li1	Li	0.01350	0.07200	0.12700	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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	m_x,m_y,m_z	1.30000	0.00000	1.40000
(1/2,0,1/2) + set click here to show and hide
2	0.75000	0.00000	0.50000	m_x,m_y,m_z	1.30000	0.00000	1.40000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.30000	0.00000	-1.40000
(0,0,1/2)' + set click here to show and hide
4	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.30000	0.00000	-1.40000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom W1:

Atom	x	y	z
1	0.13215	0.53370	0.33245
2	0.36785	0.46630	0.66755
(1/2,0,1/2) + set click here to show and hide
3	0.63215	0.53370	0.83245
4	0.86785	0.46630	0.16755
(1/2,0,0)' + set click here to show and hide
5	0.63215	0.53370	0.33245
6	0.86785	0.46630	0.66755
(0,0,1/2)' + set click here to show and hide
7	0.13215	0.53370	0.83245
8	0.36785	0.46630	0.16755

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

Atom	x	y	z
1	0.48390	0.24210	0.46155
2	0.01610	0.75790	0.53845
(1/2,0,1/2) + set click here to show and hide
3	0.98390	0.24210	0.96155
4	0.51610	0.75790	0.03845
(1/2,0,0)' + set click here to show and hide
5	0.98390	0.24210	0.46155
6	0.51610	0.75790	0.53845
(0,0,1/2)' + set click here to show and hide
7	0.48390	0.24210	0.96155
8	0.01610	0.75790	0.03845

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

Atom	x	y	z
1	0.25680	0.74990	0.40500
2	0.24320	0.25010	0.59500
(1/2,0,1/2) + set click here to show and hide
3	0.75680	0.74990	0.90500
4	0.74320	0.25010	0.09500
(1/2,0,0)' + set click here to show and hide
5	0.75680	0.74990	0.40500
6	0.74320	0.25010	0.59500
(0,0,1/2)' + set click here to show and hide
7	0.25680	0.74990	0.90500
8	0.24320	0.25010	0.09500

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.27410	0.72180	0.16495
2	0.22590	0.27820	0.83505
(1/2,0,1/2) + set click here to show and hide
3	0.77410	0.72180	0.66495
4	0.72590	0.27820	0.33505
(1/2,0,0)' + set click here to show and hide
5	0.77410	0.72180	0.16495
6	0.72590	0.27820	0.83505
(0,0,1/2)' + set click here to show and hide
7	0.27410	0.72180	0.66495
8	0.22590	0.27820	0.33505

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.02185	0.72760	0.27150
2	0.47815	0.27240	0.72850
(1/2,0,1/2) + set click here to show and hide
3	0.52185	0.72760	0.77150
4	0.97815	0.27240	0.22850
(1/2,0,0)' + set click here to show and hide
5	0.52185	0.72760	0.27150
6	0.97815	0.27240	0.72850
(0,0,1/2)' + set click here to show and hide
7	0.02185	0.72760	0.77150
8	0.47815	0.27240	0.22850

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.01350	0.07200	0.12700
2	0.48650	0.92800	0.87300
(1/2,0,1/2) + set click here to show and hide
3	0.51350	0.07200	0.62700
4	0.98650	0.92800	0.37300
(1/2,0,0)' + set click here to show and hide
5	0.51350	0.07200	0.12700
6	0.98650	0.92800	0.87300
(0,0,1/2)' + set click here to show and hide
7	0.01350	0.07200	0.62700
8	0.48650	0.92800	0.37300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.00000	0.00000	4	m_x,m_y,m_z	1.3(2)	0.0	1.4(2)	1.93

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