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	0.71110	0.38393	0.09973	0.685	16	m_x,m_y,m_z	0.0	1.66(1)	0.0	1.66

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1	Y	0.20646	0.36165	0.18334	1.	16
Sr1	Sr	0.19650	0.36388	0.00000	1.	8
Cu1	Cu	0.71110	0.38393	0.09973	0.315	16
O1	O	0.18870	0.10794	0.00000	1.	8
O2	O	0.00000	0.50000	0.10418	1.	8
O3	O	0.50000	0.00000	0.25000	1.	4
O4	O	0.00000	0.22261	0.25000	1.	8
O5	O	0.47750	0.25218	0.10604	1.	16
O6	O	0.00000	0.00000	0.35528	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	0.71110	0.38393	0.09973	m_x,m_y,m_z	0.00000	1.66000	0.00000
2	0.28890	0.61607	0.09973	-m_x,-m_y,m_z	0.00000	-1.66000	0.00000
3	0.28890	0.61607	0.90027	m_x,m_y,m_z	0.00000	1.66000	0.00000
4	0.71110	0.38393	0.90027	-m_x,-m_y,m_z	0.00000	-1.66000	0.00000
5	0.71110	0.61607	0.40027	-m_x,m_y,m_z	0.00000	1.66000	0.00000
6	0.28890	0.38393	0.40027	m_x,-m_y,m_z	0.00000	-1.66000	0.00000
7	0.28890	0.38393	0.59973	-m_x,m_y,m_z	0.00000	1.66000	0.00000
8	0.71110	0.61607	0.59973	m_x,-m_y,m_z	0.00000	-1.66000	0.00000
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9	0.21110	0.88393	0.59973	m_x,m_y,m_z	0.00000	1.66000	0.00000
10	0.78890	0.11607	0.59973	-m_x,-m_y,m_z	0.00000	-1.66000	0.00000
11	0.78890	0.11607	0.40027	m_x,m_y,m_z	0.00000	1.66000	0.00000
12	0.21110	0.88393	0.40027	-m_x,-m_y,m_z	0.00000	-1.66000	0.00000
13	0.21110	0.11607	0.90027	-m_x,m_y,m_z	0.00000	1.66000	0.00000
14	0.78890	0.88393	0.90027	m_x,-m_y,m_z	0.00000	-1.66000	0.00000
15	0.78890	0.88393	0.09973	-m_x,m_y,m_z	0.00000	1.66000	0.00000
16	0.21110	0.11607	0.09973	m_x,-m_y,m_z	0.00000	-1.66000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.20646	0.36165	0.18334
2	0.79354	0.63835	0.18334
3	0.79354	0.63835	0.81666
4	0.20646	0.36165	0.81666
5	0.20646	0.63835	0.31666
6	0.79354	0.36165	0.31666
7	0.79354	0.36165	0.68334
8	0.20646	0.63835	0.68334
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9	0.70646	0.86165	0.68334
10	0.29354	0.13835	0.68334
11	0.29354	0.13835	0.31666
12	0.70646	0.86165	0.31666
13	0.70646	0.13835	0.81666
14	0.29354	0.86165	0.81666
15	0.29354	0.86165	0.18334
16	0.70646	0.13835	0.18334

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

Atom	x	y	z
1	0.19650	0.36388	0.00000
2	0.80350	0.63612	0.00000
3	0.19650	0.63612	0.50000
4	0.80350	0.36388	0.50000
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5	0.69650	0.86388	0.50000
6	0.30350	0.13612	0.50000
7	0.69650	0.13612	0.00000
8	0.30350	0.86388	0.00000

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

Atom	x	y	z
1	0.71110	0.38393	0.09973
2	0.28890	0.61607	0.09973
3	0.28890	0.61607	0.90027
4	0.71110	0.38393	0.90027
5	0.71110	0.61607	0.40027
6	0.28890	0.38393	0.40027
7	0.28890	0.38393	0.59973
8	0.71110	0.61607	0.59973
(1/2,1/2,1/2) + set click here to show and hide
9	0.21110	0.88393	0.59973
10	0.78890	0.11607	0.59973
11	0.78890	0.11607	0.40027
12	0.21110	0.88393	0.40027
13	0.21110	0.11607	0.90027
14	0.78890	0.88393	0.90027
15	0.78890	0.88393	0.09973
16	0.21110	0.11607	0.09973

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

Atom	x	y	z
1	0.18870	0.10794	0.00000
2	0.81130	0.89206	0.00000
3	0.18870	0.89206	0.50000
4	0.81130	0.10794	0.50000
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5	0.68870	0.60794	0.50000
6	0.31130	0.39206	0.50000
7	0.68870	0.39206	0.00000
8	0.31130	0.60794	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	0.10418
2	0.00000	0.50000	0.89582
3	0.00000	0.50000	0.39582
4	0.00000	0.50000	0.60418
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.60418
6	0.50000	0.00000	0.39582
7	0.50000	0.00000	0.89582
8	0.50000	0.00000	0.10418

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	0.22261	0.25000
2	0.00000	0.77739	0.25000
3	0.00000	0.77739	0.75000
4	0.00000	0.22261	0.75000
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5	0.50000	0.72261	0.75000
6	0.50000	0.27739	0.75000
7	0.50000	0.27739	0.25000
8	0.50000	0.72261	0.25000

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

Atom	x	y	z
1	0.47750	0.25218	0.10604
2	0.52250	0.74782	0.10604
3	0.52250	0.74782	0.89396
4	0.47750	0.25218	0.89396
5	0.47750	0.74782	0.39396
6	0.52250	0.25218	0.39396
7	0.52250	0.25218	0.60604
8	0.47750	0.74782	0.60604
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9	0.97750	0.75218	0.60604
10	0.02250	0.24782	0.60604
11	0.02250	0.24782	0.39396
12	0.97750	0.75218	0.39396
13	0.97750	0.24782	0.89396
14	0.02250	0.75218	0.89396
15	0.02250	0.75218	0.10604
16	0.97750	0.24782	0.10604

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

Atom	x	y	z
1	0.00000	0.00000	0.35528
2	0.00000	0.00000	0.64472
3	0.00000	0.00000	0.14472
4	0.00000	0.00000	0.85528
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5	0.50000	0.50000	0.85528
6	0.50000	0.50000	0.14472
7	0.50000	0.50000	0.64472
8	0.50000	0.50000	0.35528

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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	0.71110	0.38393	0.09973	0.685	16	m_x,m_y,m_z	0.0	1.66(1)	0.0	1.66

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