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	{ -1 \| 0 }
4	x,y,-z,+1	{ m₀₀₁ \| 0 }
5	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
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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+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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\|
Co2	Co	0.71160	0.38397	0.09958	0.685	16	m_x,m_y,m_z	0.0	2.18(2)	0.0	2.18

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1	Y	0.20580	0.36193	0.18323	1.	16
Sr1	Sr	0.19590	0.36350	0.00000	1.	8
Cu1	Cu	0.71160	0.38397	0.09958	0.315	16
O1	O	0.18740	0.10770	0.00000	1.	8
O2	O	0.00000	0.50000	0.10393	1.	8
O3	O	0.50000	0.00000	0.25000	1.	4
O4	O	0.00000	0.22248	0.25000	1.	8
O5	O	0.47730	0.25199	0.10573	1.	16
O6	O	0.00000	0.00000	0.35503	1.	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 Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.71160	0.38397	0.09958	m_x,m_y,m_z	0.00000	2.18000	0.00000
2	0.28840	0.61603	0.09958	-m_x,-m_y,m_z	0.00000	-2.18000	0.00000
3	0.28840	0.61603	0.90042	m_x,m_y,m_z	0.00000	2.18000	0.00000
4	0.71160	0.38397	0.90042	-m_x,-m_y,m_z	0.00000	-2.18000	0.00000
5	0.71160	0.61603	0.40042	-m_x,m_y,m_z	0.00000	2.18000	0.00000
6	0.28840	0.38397	0.40042	m_x,-m_y,m_z	0.00000	-2.18000	0.00000
7	0.28840	0.38397	0.59958	-m_x,m_y,m_z	0.00000	2.18000	0.00000
8	0.71160	0.61603	0.59958	m_x,-m_y,m_z	0.00000	-2.18000	0.00000
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9	0.21160	0.88397	0.59958	m_x,m_y,m_z	0.00000	2.18000	0.00000
10	0.78840	0.11603	0.59958	-m_x,-m_y,m_z	0.00000	-2.18000	0.00000
11	0.78840	0.11603	0.40042	m_x,m_y,m_z	0.00000	2.18000	0.00000
12	0.21160	0.88397	0.40042	-m_x,-m_y,m_z	0.00000	-2.18000	0.00000
13	0.21160	0.11603	0.90042	-m_x,m_y,m_z	0.00000	2.18000	0.00000
14	0.78840	0.88397	0.90042	m_x,-m_y,m_z	0.00000	-2.18000	0.00000
15	0.78840	0.88397	0.09958	-m_x,m_y,m_z	0.00000	2.18000	0.00000
16	0.21160	0.11603	0.09958	m_x,-m_y,m_z	0.00000	-2.18000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

Atom	x	y	z
1	0.20580	0.36193	0.18323
2	0.79420	0.63807	0.18323
3	0.79420	0.63807	0.81677
4	0.20580	0.36193	0.81677
5	0.20580	0.63807	0.31677
6	0.79420	0.36193	0.31677
7	0.79420	0.36193	0.68323
8	0.20580	0.63807	0.68323
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9	0.70580	0.86193	0.68323
10	0.29420	0.13807	0.68323
11	0.29420	0.13807	0.31677
12	0.70580	0.86193	0.31677
13	0.70580	0.13807	0.81677
14	0.29420	0.86193	0.81677
15	0.29420	0.86193	0.18323
16	0.70580	0.13807	0.18323

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.19590	0.36350	0.00000
2	0.80410	0.63650	0.00000
3	0.19590	0.63650	0.50000
4	0.80410	0.36350	0.50000
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5	0.69590	0.86350	0.50000
6	0.30410	0.13650	0.50000
7	0.69590	0.13650	0.00000
8	0.30410	0.86350	0.00000

Set of atoms in the unit cell related by symmetry with the atom Cu1:

Atom	x	y	z
1	0.71160	0.38397	0.09958
2	0.28840	0.61603	0.09958
3	0.28840	0.61603	0.90042
4	0.71160	0.38397	0.90042
5	0.71160	0.61603	0.40042
6	0.28840	0.38397	0.40042
7	0.28840	0.38397	0.59958
8	0.71160	0.61603	0.59958
(1/2,1/2,1/2) + set click here to show and hide
9	0.21160	0.88397	0.59958
10	0.78840	0.11603	0.59958
11	0.78840	0.11603	0.40042
12	0.21160	0.88397	0.40042
13	0.21160	0.11603	0.90042
14	0.78840	0.88397	0.90042
15	0.78840	0.88397	0.09958
16	0.21160	0.11603	0.09958

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

Atom	x	y	z
1	0.18740	0.10770	0.00000
2	0.81260	0.89230	0.00000
3	0.18740	0.89230	0.50000
4	0.81260	0.10770	0.50000
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5	0.68740	0.60770	0.50000
6	0.31260	0.39230	0.50000
7	0.68740	0.39230	0.00000
8	0.31260	0.60770	0.00000

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

Atom	x	y	z
1	0.00000	0.50000	0.10393
2	0.00000	0.50000	0.89607
3	0.00000	0.50000	0.39607
4	0.00000	0.50000	0.60393
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.60393
6	0.50000	0.00000	0.39607
7	0.50000	0.00000	0.89607
8	0.50000	0.00000	0.10393

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

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

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

Atom	x	y	z
1	0.00000	0.22248	0.25000
2	0.00000	0.77752	0.25000
3	0.00000	0.77752	0.75000
4	0.00000	0.22248	0.75000
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5	0.50000	0.72248	0.75000
6	0.50000	0.27752	0.75000
7	0.50000	0.27752	0.25000
8	0.50000	0.72248	0.25000

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.47730	0.25199	0.10573
2	0.52270	0.74801	0.10573
3	0.52270	0.74801	0.89427
4	0.47730	0.25199	0.89427
5	0.47730	0.74801	0.39427
6	0.52270	0.25199	0.39427
7	0.52270	0.25199	0.60573
8	0.47730	0.74801	0.60573
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9	0.97730	0.75199	0.60573
10	0.02270	0.24801	0.60573
11	0.02270	0.24801	0.39427
12	0.97730	0.75199	0.39427
13	0.97730	0.24801	0.89427
14	0.02270	0.75199	0.89427
15	0.02270	0.75199	0.10573
16	0.97730	0.24801	0.10573

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.00000	0.00000	0.35503
2	0.00000	0.00000	0.64497
3	0.00000	0.00000	0.14497
4	0.00000	0.00000	0.85503
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5	0.50000	0.50000	0.85503
6	0.50000	0.50000	0.14497
7	0.50000	0.50000	0.64497
8	0.50000	0.50000	0.35503

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co2	Co	0.71160	0.38397	0.09958	0.685	16	m_x,m_y,m_z	0.0	2.18(2)	0.0	2.18

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