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):

[Hide]

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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 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,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

[Hide]

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

[Hide]

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	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.25000	0.00000	1.	4	m_x,m_y,m_z	0.0	0.0	1.62(7)	1.62

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.11230	0.74830	0.97640	1.	8
O1	O	0.27040	0.96830	0.77710	1.	8
O2	O	0.00000	0.51770	0.25000	1.	4
F1	F	0.91180	0.84450	0.96700	0.964	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.62000
2	0.25000	0.75000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-1.62000
(1/2,1/2,0)' + set click here to show and hide
3	0.75000	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.62000
4	0.75000	0.25000	0.50000	m_x,-m_y,m_z	0.00000	0.00000	1.62000

Atom	x	y	z
1	0.11230	0.74830	0.97640
2	0.38770	0.24830	0.52360
3	0.38770	0.75170	0.02360
4	0.11230	0.25170	0.47640
(1/2,1/2,0)' + set click here to show and hide
5	0.61230	0.24830	0.97640
6	0.88770	0.74830	0.52360
7	0.88770	0.25170	0.02360
8	0.61230	0.75170	0.47640

Atom	x	y	z
1	0.27040	0.96830	0.77710
2	0.22960	0.46830	0.72290
3	0.22960	0.53170	0.22290
4	0.27040	0.03170	0.27710
(1/2,1/2,0)' + set click here to show and hide
5	0.77040	0.46830	0.77710
6	0.72960	0.96830	0.72290
7	0.72960	0.03170	0.22290
8	0.77040	0.53170	0.27710

Atom	x	y	z
1	0.00000	0.51770	0.25000
2	0.50000	0.98230	0.75000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.01770	0.25000
4	0.00000	0.48230	0.75000

Atom	x	y	z
1	0.91180	0.84450	0.96700
2	0.58820	0.34450	0.53300
3	0.58820	0.65550	0.03300
4	0.91180	0.15550	0.46700
(1/2,1/2,0)' + set click here to show and hide
5	0.41180	0.34450	0.96700
6	0.08820	0.84450	0.53300
7	0.08820	0.15550	0.03300
8	0.41180	0.65550	0.46700

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.25000	0.25000	0.00000	4	m_x,m_y,m_z	0.0	0.0	1.62(7)	1.62

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	0.00000	0.00000	1.62000
2	0.25000	0.75000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-1.62000
(1/2,1/2,0)' + set click here to show and hide
3	0.75000	0.75000	0.00000	-m_x,-m_y,-m_z	0.00000	0.00000	-1.62000
4	0.75000	0.25000	0.50000	m_x,-m_y,m_z	0.00000	0.00000	1.62000

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	3

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