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

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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	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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.66666	0.00000	0.8191	4	m_x,0,m_z	0.71	0.0	2.32	2.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Na1	Na	0.00000	0.50000	0.50000	1.	2
Na2	Na	0.00000	0.83600	0.50000	1.	4
O1	O	0.22630	0.84030	0.20390	1.	8
O2	O	0.74860	0.00000	0.21300	1.	4
Bi1	Bi	0.00000	0.00000	0.00000	0.6382	2
Ni2	Ni	0.00000	0.00000	0.00000	0.3618	2
Bi2	Bi	0.00000	0.66666	0.00000	0.1809	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66666	0.00000	m_x,0,m_z	0.71000	0.00000	2.32000
2	0.50000	0.83334	0.00000	m_x,0,m_z	0.71000	0.00000	2.32000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.16666	0.00000	-m_x,0,-m_z	-0.71000	0.00000	-2.32000
4	0.00000	0.33334	0.00000	-m_x,0,-m_z	-0.71000	0.00000	-2.32000

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

Atom	x	y	z
1	0.00000	0.83600	0.50000
2	0.50000	0.66400	0.50000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.33600	0.50000
4	0.00000	0.16400	0.50000

Atom	x	y	z
1	0.22630	0.84030	0.20390
2	0.27370	0.34030	0.79610
3	0.27370	0.65970	0.79610
4	0.22630	0.15970	0.20390
(1/2,1/2,0)' + set click here to show and hide
5	0.72630	0.34030	0.20390
6	0.77370	0.84030	0.79610
7	0.77370	0.15970	0.79610
8	0.72630	0.65970	0.20390

Atom	x	y	z
1	0.74860	0.00000	0.21300
2	0.75140	0.50000	0.78700
(1/2,1/2,0)' + set click here to show and hide
3	0.24860	0.50000	0.21300
4	0.25140	0.00000	0.78700

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

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

Atom	x	y	z
1	0.00000	0.66666	0.00000
2	0.50000	0.83334	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.16666	0.00000
4	0.00000	0.33334	0.00000

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.66666	0.00000	0.8191	4	m_x,0,m_z	0.71	0.0	2.32	2.20

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.66666	0.00000	m_x,0,m_z	0.71000	0.00000	2.32000
2	0.50000	0.83334	0.00000	m_x,0,m_z	0.71000	0.00000	2.32000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.16666	0.00000	-m_x,0,-m_z	-0.71000	0.00000	-2.32000
4	0.00000	0.33334	0.00000	-m_x,0,-m_z	-0.71000	0.00000	-2.32000

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	2

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