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,z,+1	{ 2₀₀₁ \| 0 }
3	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
5	y+1/2,x,z+1/4,-1	{ m'_1-10 \| 1/2 0 1/4 }
6	-y+1/2,-x,z+1/4,-1	{ m'₁₁₀ \| 1/2 0 1/4 }
7	-y,x+1/2,z+1/4,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/4 }
8	y,-x+1/2,z+1/4,-1	{ 4'^-₀₀₁ \| 0 1/2 1/4 }
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9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
12	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
13	y,x+1/2,z+3/4,-1	{ m'_1-10 \| 0 1/2 3/4 }
14	-y,-x+1/2,z+3/4,-1	{ m'₁₁₀ \| 0 1/2 3/4 }
15	-y+1/2,x,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/2 0 3/4 }
16	y+1/2,-x,z+3/4,-1	{ 4'^-₀₀₁ \| 1/2 0 3/4 }

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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	0.32377	0.33202	0.17461	0.88000	16	M_x,M_y,M_z	0.0	0.0	0.9(1)	0.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Mg1	Mg	0.32377	0.33202	0.17461	0.12000	16
Pb1	Pb	0.00000	0.00000	0.00000	1.00000	8
V1	V	0.25960	0.08020	0.10150	1.00000	16
O1	O	0.15269	0.49279	-0.0985	1.00000	16
O2	O	0.33108	0.65842	0.43680	1.00000	16
O3	O	0.15670	0.68715	0.66993	1.00000	16
O4	O	0.33042	0.49960	0.19823	1.00000	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	0.32377	0.33202	0.17461	m_x,m_y,m_z	0.00000	0.00000	0.90000
2	0.67623	0.66798	0.17461	-m_x,-m_y,m_z	0.00000	0.00000	0.90000
3	0.67623	0.33202	0.67461	m_x,-m_y,-m_z	0.00000	0.00000	-0.90000
4	0.32377	0.66798	0.67461	-m_x,m_y,-m_z	0.00000	0.00000	-0.90000
5	0.83202	0.32377	0.42461	m_y,m_x,m_z	0.00000	0.00000	0.90000
6	0.16798	0.67623	0.42461	-m_y,-m_x,m_z	0.00000	0.00000	0.90000
7	0.66798	0.82377	0.42461	m_y,-m_x,-m_z	0.00000	0.00000	-0.90000
8	0.33202	0.17623	0.42461	-m_y,m_x,-m_z	0.00000	0.00000	-0.90000
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9	0.82377	0.83202	0.67461	m_x,m_y,m_z	0.00000	0.00000	0.90000
10	0.17623	0.16798	0.67461	-m_x,-m_y,m_z	0.00000	0.00000	0.90000
11	0.17623	0.83202	0.17461	m_x,-m_y,-m_z	0.00000	0.00000	-0.90000
12	0.82377	0.16798	0.17461	-m_x,m_y,-m_z	0.00000	0.00000	-0.90000
13	0.33202	0.82377	0.92461	m_y,m_x,m_z	0.00000	0.00000	0.90000
14	0.66798	0.17623	0.92461	-m_y,-m_x,m_z	0.00000	0.00000	0.90000
15	0.16798	0.32377	0.92461	m_y,-m_x,-m_z	0.00000	0.00000	-0.90000
16	0.83202	0.67623	0.92461	-m_y,m_x,-m_z	0.00000	0.00000	-0.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mg1:

Atom	x	y	z
1	0.32377	0.33202	0.17461
2	0.67623	0.66798	0.17461
3	0.67623	0.33202	0.67461
4	0.32377	0.66798	0.67461
5	0.83202	0.32377	0.42461
6	0.16798	0.67623	0.42461
7	0.66798	0.82377	0.42461
8	0.33202	0.17623	0.42461
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9	0.82377	0.83202	0.67461
10	0.17623	0.16798	0.67461
11	0.17623	0.83202	0.17461
12	0.82377	0.16798	0.17461
13	0.33202	0.82377	0.92461
14	0.66798	0.17623	0.92461
15	0.16798	0.32377	0.92461
16	0.83202	0.67623	0.92461

Set of atoms in the unit cell related by symmetry with the atom Pb1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
3	0.50000	0.00000	0.25000
4	0.00000	0.50000	0.25000
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5	0.50000	0.50000	0.50000
6	0.50000	0.50000	0.00000
7	0.00000	0.50000	0.75000
8	0.50000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom V1:

Atom	x	y	z
1	0.25960	0.08020	0.10150
2	0.74040	0.91980	0.10150
3	0.74040	0.08020	0.60150
4	0.25960	0.91980	0.60150
5	0.58020	0.25960	0.35150
6	0.41980	0.74040	0.35150
7	0.91980	0.75960	0.35150
8	0.08020	0.24040	0.35150
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9	0.75960	0.58020	0.60150
10	0.24040	0.41980	0.60150
11	0.24040	0.58020	0.10150
12	0.75960	0.41980	0.10150
13	0.08020	0.75960	0.85150
14	0.91980	0.24040	0.85150
15	0.41980	0.25960	0.85150
16	0.58020	0.74040	0.85150

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

Atom	x	y	z
1	0.15269	0.49279	0.90150
2	0.84731	0.50721	0.90150
3	0.84731	0.49279	0.40150
4	0.15269	0.50721	0.40150
5	0.99279	0.15269	0.15150
6	0.00721	0.84731	0.15150
7	0.50721	0.65269	0.15150
8	0.49279	0.34731	0.15150
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9	0.65269	0.99279	0.40150
10	0.34731	0.00721	0.40150
11	0.34731	0.99279	0.90150
12	0.65269	0.00721	0.90150
13	0.49279	0.65269	0.65150
14	0.50721	0.34731	0.65150
15	0.00721	0.15269	0.65150
16	0.99279	0.84731	0.65150

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

Atom	x	y	z
1	0.33108	0.65842	0.43680
2	0.66892	0.34158	0.43680
3	0.66892	0.65842	0.93680
4	0.33108	0.34158	0.93680
5	0.15842	0.33108	0.68680
6	0.84158	0.66892	0.68680
7	0.34158	0.83108	0.68680
8	0.65842	0.16892	0.68680
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9	0.83108	0.15842	0.93680
10	0.16892	0.84158	0.93680
11	0.16892	0.15842	0.43680
12	0.83108	0.84158	0.43680
13	0.65842	0.83108	0.18680
14	0.34158	0.16892	0.18680
15	0.84158	0.33108	0.18680
16	0.15842	0.66892	0.18680

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

Atom	x	y	z
1	0.15670	0.68715	0.66993
2	0.84330	0.31285	0.66993
3	0.84330	0.68715	0.16993
4	0.15670	0.31285	0.16993
5	0.18715	0.15670	0.91993
6	0.81285	0.84330	0.91993
7	0.31285	0.65670	0.91993
8	0.68715	0.34330	0.91993
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9	0.65670	0.18715	0.16993
10	0.34330	0.81285	0.16993
11	0.34330	0.18715	0.66993
12	0.65670	0.81285	0.66993
13	0.68715	0.65670	0.41993
14	0.31285	0.34330	0.41993
15	0.81285	0.15670	0.41993
16	0.18715	0.84330	0.41993

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

Atom	x	y	z
1	0.33042	0.49960	0.19823
2	0.66958	0.50040	0.19823
3	0.66958	0.49960	0.69823
4	0.33042	0.50040	0.69823
5	0.99960	0.33042	0.44823
6	0.00040	0.66958	0.44823
7	0.50040	0.83042	0.44823
8	0.49960	0.16958	0.44823
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9	0.83042	0.99960	0.69823
10	0.16958	0.00040	0.69823
11	0.16958	0.99960	0.19823
12	0.83042	0.00040	0.19823
13	0.49960	0.83042	0.94823
14	0.50040	0.16958	0.94823
15	0.00040	0.33042	0.94823
16	0.99960	0.66958	0.94823

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.32377	0.33202	0.17461	0.88000	16	M_x,M_y,M_z	0.0	0.0	0.9(1)	0.90

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	3

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