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+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
13	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
14	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
15	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
16	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }

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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	0.25000	0.25000	4	m_x,0,m_z	1.70(9)	0.0	0.42(8)	1.75
Cr1	Cr	0.00000	0.00000	0.50000	4	0,m_y,m_z	0.0	0.03(5)	-2.22(10)	2.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.00000	0.00000	0.00000	4
Na2	Na	0.25000	0.25000	0.75000	4
F1	F	0.00000	0.25000	0.14400	4
F2	F	0.00000	0.41200	0.72650	8
F3	F	0.19570	0.38500	0.43610	16

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	0.25000	0.25000	m_x,0,m_z	1.70000	0.00000	0.42000
2	0.75000	0.25000	0.25000	-m_x,0,m_z	-1.70000	0.00000	0.42000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.75000	m_x,0,m_z	1.70000	0.00000	0.42000
4	0.25000	0.75000	0.75000	-m_x,0,m_z	-1.70000	0.00000	0.42000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	0,m_y,m_z	0.00000	0.03000	-2.22000
2	0.00000	0.50000	0.50000	0,-m_y,m_z	0.00000	-0.03000	-2.22000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	0.03000	-2.22000
4	0.50000	0.00000	0.00000	0,-m_y,m_z	0.00000	-0.03000	-2.22000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1:

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

Set of atoms in the unit cell related by symmetry with the atom Na2:

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

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.00000	0.25000	0.14400
2	0.00000	0.75000	0.85600
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.64400
4	0.50000	0.25000	0.35600

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.00000	0.41200	0.72650
2	0.00000	0.08800	0.72650
3	0.00000	0.58800	0.27350
4	0.00000	0.91200	0.27350
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.91200	0.22650
6	0.50000	0.58800	0.22650
7	0.50000	0.08800	0.77350
8	0.50000	0.41200	0.77350

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.19570	0.38500	0.43610
2	0.80430	0.11500	0.43610
3	0.80430	0.61500	0.56390
4	0.19570	0.88500	0.56390
5	0.19570	0.61500	0.56390
6	0.80430	0.88500	0.56390
7	0.80430	0.38500	0.43610
8	0.19570	0.11500	0.43610
(1/2,1/2,1/2) + set click here to show and hide
9	0.69570	0.88500	0.93610
10	0.30430	0.61500	0.93610
11	0.30430	0.11500	0.06390
12	0.69570	0.38500	0.06390
13	0.69570	0.11500	0.06390
14	0.30430	0.38500	0.06390
15	0.30430	0.88500	0.93610
16	0.69570	0.61500	0.93610

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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	0.25000	0.25000	4	m_x,0,m_z	1.70(9)	0.0	0.42(8)	1.75
Cr1	Cr	0.00000	0.00000	0.50000	4	0,m_y,m_z	0.0	0.03(5)	-2.22(10)	2.22

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	4

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