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+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
7	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
8	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	x+1/2,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 3/4 3/4 }
11	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
12	-x+1/2,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 3/4 3/4 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	x+1/2,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 1/4 1/4 }
15	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
16	-x+1/2,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 1/4 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,z,+1	m₁₀₀
4	x,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,-z,-1	-1'
7	-x,y,z,-1	m'₁₀₀
8	x,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.43239	0.30578	0.12500	16	m_x,m_y,m_z	0.22(2)	0.90(2)	-0.25(4)	0.96
V2	V	0.41978	0.052345	0.12500	16	m_x,m_y,m_z	-0.26(1)	0.97(1)	0.18(3)	1.02

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.75573	0.327415	0.12500	16
O1	O	0.20929	0.08211	0.12500	16
O2	O	0.11971	0.237825	0.12500	16
O3	O	0.52062	0.390625	0.12500	16
O4	O	0.41834	0.213755	0.12500	16

[Show all atoms in unit cell and their moment relations]

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 V1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43239	0.30578	0.12500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
2	0.93239	0.44422	0.12500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
3	0.56761	0.69422	0.87500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
4	0.06761	0.05578	0.37500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.43239	0.80578	0.62500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
6	0.93239	0.94422	0.62500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
7	0.56761	0.19422	0.37500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
8	0.06761	0.55578	0.87500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.43239	0.30578	0.62500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
10	0.93239	0.44422	0.62500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
11	0.56761	0.69422	0.37500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
12	0.06761	0.05578	0.87500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
(0,1/2,0)' + set click here to show and hide
13	0.43239	0.80578	0.12500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
14	0.93239	0.94422	0.12500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
15	0.56761	0.19422	0.87500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
16	0.06761	0.55578	0.37500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom V2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.41978	0.05235	0.12500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
2	0.91978	0.69766	0.12500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
3	0.58022	0.94766	0.87500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
4	0.08022	0.80234	0.37500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
(0,1/2,1/2) + set click here to show and hide
5	0.41978	0.55234	0.62500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
6	0.91978	0.19766	0.62500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
7	0.58022	0.44766	0.37500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
8	0.08022	0.30234	0.87500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
(0,0,1/2)' + set click here to show and hide
9	0.41978	0.05235	0.62500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
10	0.91978	0.69766	0.62500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
11	0.58022	0.94766	0.37500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
12	0.08022	0.80234	0.87500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
(0,1/2,0)' + set click here to show and hide
13	0.41978	0.55234	0.12500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
14	0.91978	0.19766	0.12500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
15	0.58022	0.44766	0.87500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
16	0.08022	0.30234	0.37500	-m_x,m_y,m_z	0.26000	0.97000	0.18000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.75573	0.32742	0.12500
2	0.25573	0.42258	0.12500
3	0.24427	0.67258	0.87500
4	0.74427	0.07742	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.75573	0.82742	0.62500
6	0.25573	0.92258	0.62500
7	0.24427	0.17258	0.37500
8	0.74427	0.57742	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.75573	0.32742	0.62500
10	0.25573	0.42258	0.62500
11	0.24427	0.67258	0.37500
12	0.74427	0.07742	0.87500
(0,1/2,0)' + set click here to show and hide
13	0.75573	0.82742	0.12500
14	0.25573	0.92258	0.12500
15	0.24427	0.17258	0.87500
16	0.74427	0.57742	0.37500

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

Atom	x	y	z
1	0.20929	0.08211	0.12500
2	0.70929	0.66789	0.12500
3	0.79071	0.91789	0.87500
4	0.29071	0.83211	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.20929	0.58211	0.62500
6	0.70929	0.16789	0.62500
7	0.79071	0.41789	0.37500
8	0.29071	0.33211	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.20929	0.08211	0.62500
10	0.70929	0.66789	0.62500
11	0.79071	0.91789	0.37500
12	0.29071	0.83211	0.87500
(0,1/2,0)' + set click here to show and hide
13	0.20929	0.58211	0.12500
14	0.70929	0.16789	0.12500
15	0.79071	0.41789	0.87500
16	0.29071	0.33211	0.37500

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

Atom	x	y	z
1	0.11971	0.23783	0.12500
2	0.61971	0.51218	0.12500
3	0.88029	0.76218	0.87500
4	0.38029	0.98782	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.11971	0.73782	0.62500
6	0.61971	0.01218	0.62500
7	0.88029	0.26218	0.37500
8	0.38029	0.48782	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.11971	0.23783	0.62500
10	0.61971	0.51218	0.62500
11	0.88029	0.76218	0.37500
12	0.38029	0.98782	0.87500
(0,1/2,0)' + set click here to show and hide
13	0.11971	0.73782	0.12500
14	0.61971	0.01218	0.12500
15	0.88029	0.26218	0.87500
16	0.38029	0.48782	0.37500

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

Atom	x	y	z
1	0.52062	0.39062	0.12500
2	0.02062	0.35938	0.12500
3	0.47938	0.60938	0.87500
4	0.97938	0.14062	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.52062	0.89062	0.62500
6	0.02062	0.85938	0.62500
7	0.47938	0.10938	0.37500
8	0.97938	0.64062	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.52062	0.39062	0.62500
10	0.02062	0.35938	0.62500
11	0.47938	0.60938	0.37500
12	0.97938	0.14062	0.87500
(0,1/2,0)' + set click here to show and hide
13	0.52062	0.89062	0.12500
14	0.02062	0.85938	0.12500
15	0.47938	0.10938	0.87500
16	0.97938	0.64062	0.37500

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

Atom	x	y	z
1	0.41834	0.21376	0.12500
2	0.91834	0.53624	0.12500
3	0.58166	0.78624	0.87500
4	0.08166	0.96376	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.41834	0.71376	0.62500
6	0.91834	0.03625	0.62500
7	0.58166	0.28625	0.37500
8	0.08166	0.46375	0.87500
(0,0,1/2)' + set click here to show and hide
9	0.41834	0.21376	0.62500
10	0.91834	0.53624	0.62500
11	0.58166	0.78624	0.37500
12	0.08166	0.96376	0.87500
(0,1/2,0)' + set click here to show and hide
13	0.41834	0.71376	0.12500
14	0.91834	0.03625	0.12500
15	0.58166	0.28625	0.87500
16	0.08166	0.46375	0.37500

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.43239	0.30578	0.12500	16	m_x,m_y,m_z	0.22(2)	0.90(2)	-0.25(4)	0.96
V2	V	0.41978	0.052345	0.12500	16	m_x,m_y,m_z	-0.26(1)	0.97(1)	0.18(3)	1.02

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.43239	0.30578	0.12500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
2	0.93239	0.44422	0.12500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
3	0.56761	0.69422	0.87500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
4	0.06761	0.05578	0.37500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.43239	0.80578	0.62500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
6	0.93239	0.94422	0.62500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
7	0.56761	0.19422	0.37500	m_x,m_y,m_z	0.22000	0.90000	-0.25000
8	0.06761	0.55578	0.87500	m_x,-m_y,-m_z	0.22000	-0.90000	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.43239	0.30578	0.62500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
10	0.93239	0.44422	0.62500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
11	0.56761	0.69422	0.37500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
12	0.06761	0.05578	0.87500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
(0,1/2,0)' + set click here to show and hide
13	0.43239	0.80578	0.12500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
14	0.93239	0.94422	0.12500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000
15	0.56761	0.19422	0.87500	-m_x,-m_y,-m_z	-0.22000	-0.90000	0.25000
16	0.06761	0.55578	0.37500	-m_x,m_y,m_z	-0.22000	0.90000	-0.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom V2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.41978	0.05235	0.12500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
2	0.91978	0.69766	0.12500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
3	0.58022	0.94766	0.87500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
4	0.08022	0.80234	0.37500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
(0,1/2,1/2) + set click here to show and hide
5	0.41978	0.55234	0.62500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
6	0.91978	0.19766	0.62500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
7	0.58022	0.44766	0.37500	m_x,m_y,m_z	-0.26000	0.97000	0.18000
8	0.08022	0.30234	0.87500	m_x,-m_y,-m_z	-0.26000	-0.97000	-0.18000
(0,0,1/2)' + set click here to show and hide
9	0.41978	0.05235	0.62500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
10	0.91978	0.69766	0.62500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
11	0.58022	0.94766	0.37500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
12	0.08022	0.80234	0.87500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
(0,1/2,0)' + set click here to show and hide
13	0.41978	0.55234	0.12500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
14	0.91978	0.19766	0.12500	-m_x,m_y,m_z	0.26000	0.97000	0.18000
15	0.58022	0.44766	0.87500	-m_x,-m_y,-m_z	0.26000	-0.97000	-0.18000
16	0.08022	0.30234	0.37500	-m_x,m_y,m_z	0.26000	0.97000	0.18000

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label	dim. small irrep	dim. full irrep	action
mY1+	1	1	primary

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

CaV₂O₄ (#1.73)

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

CaV2O4 (#1.73)

CaV₂O₄ (#1.73)