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+1/4,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/4 1/4 1/4 }
4	x+1/4,-y+1/4,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/4 1/4 }
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5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
7	-x+1/4,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/4 3/4 3/4 }
8	x+1/4,-y+3/4,z+3/4,-1	{ m'₀₁₀ \| 1/4 3/4 3/4 }
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9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	-x+3/4,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 3/4 1/4 3/4 }
12	x+3/4,-y+1/4,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/4 3/4 }
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13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
15	-x+3/4,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 3/4 3/4 1/4 }
16	x+3/4,-y+3/4,z+1/4,-1	{ m'₀₁₀ \| 3/4 3/4 1/4 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.16551	0.36460	0.75200	16	m_x,m_y,m_z	0.93(9)	0.0	0.0	0.93

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
V1	V	0.19900	0.40460	0.23700	16
O1	O	0.24605	0.56165	0.27230	16
O2	O	0.14428	0.43776	0.02860	16
O3	O	0.16200	0.34608	0.45510	16
O4	O	0.00000	0.00000	0.90070	8

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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16551	0.36460	0.75200	m_x,m_y,m_z	0.93000	0.00000	0.00000
2	0.83449	0.63540	0.75200	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
3	0.08449	0.61460	0.00200	-m_x,m_y,m_z	-0.93000	0.00000	0.00000
4	0.41551	0.88540	0.00200	m_x,-m_y,m_z	0.93000	0.00000	0.00000
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5	0.16551	0.86460	0.25200	m_x,m_y,m_z	0.93000	0.00000	0.00000
6	0.83449	0.13540	0.25200	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
7	0.08449	0.11460	0.50200	-m_x,m_y,m_z	-0.93000	0.00000	0.00000
8	0.41551	0.38540	0.50200	m_x,-m_y,m_z	0.93000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.66551	0.36460	0.25200	m_x,m_y,m_z	0.93000	0.00000	0.00000
10	0.33449	0.63540	0.25200	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
11	0.58449	0.61460	0.50200	-m_x,m_y,m_z	-0.93000	0.00000	0.00000
12	0.91551	0.88540	0.50200	m_x,-m_y,m_z	0.93000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.66551	0.86460	0.75200	m_x,m_y,m_z	0.93000	0.00000	0.00000
14	0.33449	0.13540	0.75200	-m_x,-m_y,m_z	-0.93000	0.00000	0.00000
15	0.58449	0.11460	0.00200	-m_x,m_y,m_z	-0.93000	0.00000	0.00000
16	0.91551	0.38540	0.00200	m_x,-m_y,m_z	0.93000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.19900	0.40460	0.23700
2	0.80100	0.59540	0.23700
3	0.05100	0.65460	0.48700
4	0.44900	0.84540	0.48700
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5	0.19900	0.90460	0.73700
6	0.80100	0.09540	0.73700
7	0.05100	0.15460	0.98700
8	0.44900	0.34540	0.98700
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9	0.69900	0.40460	0.73700
10	0.30100	0.59540	0.73700
11	0.55100	0.65460	0.98700
12	0.94900	0.84540	0.98700
(1/2,1/2,0) + set click here to show and hide
13	0.69900	0.90460	0.23700
14	0.30100	0.09540	0.23700
15	0.55100	0.15460	0.48700
16	0.94900	0.34540	0.48700

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

Atom	x	y	z
1	0.24605	0.56165	0.27230
2	0.75395	0.43835	0.27230
3	0.00395	0.81165	0.52230
4	0.49605	0.68835	0.52230
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5	0.24605	0.06165	0.77230
6	0.75395	0.93835	0.77230
7	0.00395	0.31165	0.02230
8	0.49605	0.18835	0.02230
(1/2,0,1/2) + set click here to show and hide
9	0.74605	0.56165	0.77230
10	0.25395	0.43835	0.77230
11	0.50395	0.81165	0.02230
12	0.99605	0.68835	0.02230
(1/2,1/2,0) + set click here to show and hide
13	0.74605	0.06165	0.27230
14	0.25395	0.93835	0.27230
15	0.50395	0.31165	0.52230
16	0.99605	0.18835	0.52230

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

Atom	x	y	z
1	0.14428	0.43776	0.02860
2	0.85572	0.56224	0.02860
3	0.10572	0.68776	0.27860
4	0.39428	0.81224	0.27860
(0,1/2,1/2) + set click here to show and hide
5	0.14428	0.93776	0.52860
6	0.85572	0.06224	0.52860
7	0.10572	0.18776	0.77860
8	0.39428	0.31224	0.77860
(1/2,0,1/2) + set click here to show and hide
9	0.64428	0.43776	0.52860
10	0.35572	0.56224	0.52860
11	0.60572	0.68776	0.77860
12	0.89428	0.81224	0.77860
(1/2,1/2,0) + set click here to show and hide
13	0.64428	0.93776	0.02860
14	0.35572	0.06224	0.02860
15	0.60572	0.18776	0.27860
16	0.89428	0.31224	0.27860

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

Atom	x	y	z
1	0.16200	0.34608	0.45510
2	0.83800	0.65392	0.45510
3	0.08800	0.59608	0.70510
4	0.41200	0.90392	0.70510
(0,1/2,1/2) + set click here to show and hide
5	0.16200	0.84608	0.95510
6	0.83800	0.15392	0.95510
7	0.08800	0.09608	0.20510
8	0.41200	0.40392	0.20510
(1/2,0,1/2) + set click here to show and hide
9	0.66200	0.34608	0.95510
10	0.33800	0.65392	0.95510
11	0.58800	0.59608	0.20510
12	0.91200	0.90392	0.20510
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13	0.66200	0.84608	0.45510
14	0.33800	0.15392	0.45510
15	0.58800	0.09608	0.70510
16	0.91200	0.40392	0.70510

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

Atom	x	y	z
1	0.00000	0.00000	0.90070
2	0.25000	0.25000	0.15070
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3	0.00000	0.50000	0.40070
4	0.25000	0.75000	0.65070
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5	0.50000	0.00000	0.40070
6	0.75000	0.25000	0.65070
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7	0.50000	0.50000	0.90070
8	0.75000	0.75000	0.15070

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.16551	0.36460	0.75200	16	m_x,m_y,m_z	0.93(9)	0.0	0.0	0.93

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