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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x,-y,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
(2/3,1/3,1/3) + set click here to show and hide
7	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
8	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
9	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
10	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
11	y+2/3,-x+y+1/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 1/3 }
12	x-y+2/3,x+1/3,-z+1/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 1/3 }
(1/3,2/3,2/3) + set click here to show and hide
13	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
14	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
15	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
16	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
17	y+1/3,-x+y+2/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 2/3 }
18	x-y+1/3,x+2/3,-z+2/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 2/3 }

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

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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\|
Mn1	Mn	0.00000	0.50000	0.00000	1.	9	m_x,m_y,m_z	-2.1	-3.3	0.0	2.89

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ni1	Ni	0.00000	0.00000	0.00000	0.9	3
N1	N	0.00000	0.00000	0.50000	0.96	3

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
2	0.50000	0.50000	0.00000	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
3	0.50000	0.00000	0.00000	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
4	0.66667	0.83333	0.33333	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
5	0.16667	0.83333	0.33333	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
6	0.16667	0.33333	0.33333	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
7	0.33333	0.16667	0.66667	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
8	0.83333	0.16667	0.66667	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
9	0.83333	0.66667	0.66667	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667

Atom	x	y	z
1	0.00000	0.00000	0.50000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.83333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.16667

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.00000	9	m_x,m_y,m_z	-2.1	-3.3	0.0	2.89

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
2	0.50000	0.50000	0.00000	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
3	0.50000	0.00000	0.00000	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
4	0.66667	0.83333	0.33333	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
5	0.16667	0.83333	0.33333	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
6	0.16667	0.33333	0.33333	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
7	0.33333	0.16667	0.66667	m_x,m_y,m_z	-2.10000	-3.30000	0.00000
8	0.83333	0.16667	0.66667	-m_y,m_x-m_y,m_z	3.30000	1.20000	0.00000
9	0.83333	0.66667	0.66667	-m_x+m_y,-m_x,m_z	-1.20000	2.10000	0.00000

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