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+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
3	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
4	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
8	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn2+	0.33080	0.33215	0.21024	8	m_x,m_y,m_z	0.0	-3.99(1)	0.0	3.99
Mn1_2	Mn2+	0.66785	0.83080	0.46024	8	m_x,m_y,m_z	0.0	3.99	0.0	3.99

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.00000	0.00000	0.00000	4
Sr1_2	Sr	0.00000	0.50000	0.25000	4
V1_1	V	0.26406	0.07899	0.07790	8
V1_2	V	0.92101	0.76406	0.32790	8
O1_1	O	0.14080	0.49810	0.99200	8
O1_2	O	0.50190	0.64080	0.24200	8
O2_1	O	0.15330	0.68690	0.70090	8
O2_2	O	0.31310	0.65330	0.95090	8
O3_1	O	0.32390	0.49950	0.17100	8
O3_2	O	0.50050	0.82390	0.42100	8
O4_1	O	0.33280	0.15600	0.21240	8
O4_2	O	0.84400	0.83280	0.46240	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33080	0.33215	0.21024	m_x,m_y,m_z	0.00000	-3.99000	0.00000
2	0.33080	0.66785	0.71024	-m_x,m_y,-m_z	0.00000	-3.99000	0.00000
3	0.66920	0.66785	0.21024	m_x,m_y,-m_z	0.00000	-3.99000	0.00000
4	0.66920	0.33215	0.71024	-m_x,m_y,m_z	0.00000	-3.99000	0.00000
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5	0.83080	0.83215	0.71024	m_x,m_y,m_z	0.00000	-3.99000	0.00000
6	0.83080	0.16785	0.21024	-m_x,m_y,-m_z	0.00000	-3.99000	0.00000
7	0.16920	0.16785	0.71024	m_x,m_y,-m_z	0.00000	-3.99000	0.00000
8	0.16920	0.83215	0.21024	-m_x,m_y,m_z	0.00000	-3.99000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.66785	0.83080	0.46024	m_x,m_y,m_z	0.00000	3.99000	0.00000
2	0.66785	0.16920	0.96024	-m_x,m_y,-m_z	0.00000	3.99000	0.00000
3	0.33215	0.16920	0.46024	m_x,m_y,-m_z	0.00000	3.99000	0.00000
4	0.33215	0.83080	0.96024	-m_x,m_y,m_z	0.00000	3.99000	0.00000
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5	0.16785	0.33080	0.96024	m_x,m_y,m_z	0.00000	3.99000	0.00000
6	0.16785	0.66920	0.46024	-m_x,m_y,-m_z	0.00000	3.99000	0.00000
7	0.83215	0.66920	0.96024	m_x,m_y,-m_z	0.00000	3.99000	0.00000
8	0.83215	0.33080	0.46024	-m_x,m_y,m_z	0.00000	3.99000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
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3	0.50000	0.50000	0.50000
4	0.50000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

Atom	x	y	z
1	0.00000	0.50000	0.25000
2	0.00000	0.50000	0.75000
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3	0.50000	0.00000	0.75000
4	0.50000	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom V1_1:

Atom	x	y	z
1	0.26406	0.07899	0.07790
2	0.26406	0.92101	0.57790
3	0.73594	0.92101	0.07790
4	0.73594	0.07899	0.57790
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5	0.76406	0.57899	0.57790
6	0.76406	0.42101	0.07790
7	0.23594	0.42101	0.57790
8	0.23594	0.57899	0.07790

Set of atoms in the unit cell related by symmetry with the atom V1_2:

Atom	x	y	z
1	0.92101	0.76406	0.32790
2	0.92101	0.23594	0.82790
3	0.07899	0.23594	0.32790
4	0.07899	0.76406	0.82790
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5	0.42101	0.26406	0.82790
6	0.42101	0.73594	0.32790
7	0.57899	0.73594	0.82790
8	0.57899	0.26406	0.32790

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.14080	0.49810	0.99200
2	0.14080	0.50190	0.49200
3	0.85920	0.50190	0.99200
4	0.85920	0.49810	0.49200
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5	0.64080	0.99810	0.49200
6	0.64080	0.00190	0.99200
7	0.35920	0.00190	0.49200
8	0.35920	0.99810	0.99200

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.50190	0.64080	0.24200
2	0.50190	0.35920	0.74200
3	0.49810	0.35920	0.24200
4	0.49810	0.64080	0.74200
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5	0.00190	0.14080	0.74200
6	0.00190	0.85920	0.24200
7	0.99810	0.85920	0.74200
8	0.99810	0.14080	0.24200

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.15330	0.68690	0.70090
2	0.15330	0.31310	0.20090
3	0.84670	0.31310	0.70090
4	0.84670	0.68690	0.20090
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5	0.65330	0.18690	0.20090
6	0.65330	0.81310	0.70090
7	0.34670	0.81310	0.20090
8	0.34670	0.18690	0.70090

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.31310	0.65330	0.95090
2	0.31310	0.34670	0.45090
3	0.68690	0.34670	0.95090
4	0.68690	0.65330	0.45090
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5	0.81310	0.15330	0.45090
6	0.81310	0.84670	0.95090
7	0.18690	0.84670	0.45090
8	0.18690	0.15330	0.95090

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.32390	0.49950	0.17100
2	0.32390	0.50050	0.67100
3	0.67610	0.50050	0.17100
4	0.67610	0.49950	0.67100
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5	0.82390	0.99950	0.67100
6	0.82390	0.00050	0.17100
7	0.17610	0.00050	0.67100
8	0.17610	0.99950	0.17100

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.50050	0.82390	0.42100
2	0.50050	0.17610	0.92100
3	0.49950	0.17610	0.42100
4	0.49950	0.82390	0.92100
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5	0.00050	0.32390	0.92100
6	0.00050	0.67610	0.42100
7	0.99950	0.67610	0.92100
8	0.99950	0.32390	0.42100

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.33280	0.15600	0.21240
2	0.33280	0.84400	0.71240
3	0.66720	0.84400	0.21240
4	0.66720	0.15600	0.71240
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5	0.83280	0.65600	0.71240
6	0.83280	0.34400	0.21240
7	0.16720	0.34400	0.71240
8	0.16720	0.65600	0.21240

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.84400	0.83280	0.46240
2	0.84400	0.16720	0.96240
3	0.15600	0.16720	0.46240
4	0.15600	0.83280	0.96240
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5	0.34400	0.33280	0.96240
6	0.34400	0.66720	0.46240
7	0.65600	0.66720	0.96240
8	0.65600	0.33280	0.46240

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn2+	0.33080	0.33215	0.21024	8	m_x,m_y,m_z	0.0	-3.99(1)	0.0	3.99
Mn1_2	Mn2+	0.66785	0.83080	0.46024	8	m_x,m_y,m_z	0.0	3.99	0.0	3.99

label	dim. full irrep	dim. small irrep	direction	action
mGM5	2	2	special	primary

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