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	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y,z,+1	{ m₁₀₀ \| 0 }
7	x,-y,z,+1	{ m₀₁₀ \| 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
9	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
10	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
11	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
12	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
13	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
14	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
15	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
16	y,x,z,-1	{ m'_1-10 \| 0 }
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17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
19	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
20	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
23	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
24	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
25	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
26	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
27	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
28	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
29	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
30	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
31	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
32	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

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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\|
Co1	Co	0.7488(9)	0.7488	0.00000	1.	8	0,0,m_z	0.0	0.0	-2.4(1)	2.40
Co2	Co	0.25000	0.25000	0.25000	1.	8	m_x,m_x,m_z	0.0	0.0	1.5(1)	1.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.00000	0.00000	0.8792(6)	1.	4
Er1	Er	0.00000	0.00000	0.3496(5)	1.	4
Sr2	Sr	0.00000	0.50000	0.8670(4)	0.90	8
Er2	Er	0.00000	0.50000	0.8670	0.10	8
O1	O	0.00000	0.2442(5)	0.2398(3)	1.	16
O2	O	0.2870(3)	0.2870	0.1179(3)	1.	16
O3	O	0.7224(9)	0.00000	0.00000	0.912(1)	8
O4	O	0.392(2)	0.50000	0.00000	0.656(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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.74880	0.74880	0.00000	0,0,m_z	0.00000	0.00000	-2.40000
2	0.74880	0.25120	0.00000	0,0,-m_z	0.00000	0.00000	2.40000
3	0.25120	0.74880	0.00000	0,0,-m_z	0.00000	0.00000	2.40000
4	0.25120	0.25120	0.00000	0,0,m_z	0.00000	0.00000	-2.40000
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5	0.24880	0.24880	0.50000	0,0,m_z	0.00000	0.00000	-2.40000
6	0.24880	0.75120	0.50000	0,0,-m_z	0.00000	0.00000	2.40000
7	0.75120	0.24880	0.50000	0,0,-m_z	0.00000	0.00000	2.40000
8	0.75120	0.75120	0.50000	0,0,m_z	0.00000	0.00000	-2.40000

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	0.25000	0.25000	0.25000	m_x,m_x,m_z	0.00000	0.00000	1.50000
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_z	0.00000	0.00000	-1.50000
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_z	0.00000	0.00000	-1.50000
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_z	0.00000	0.00000	1.50000
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5	0.75000	0.75000	0.75000	m_x,m_x,m_z	0.00000	0.00000	1.50000
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_z	0.00000	0.00000	-1.50000
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_z	0.00000	0.00000	-1.50000
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_z	0.00000	0.00000	1.50000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.87920
2	0.00000	0.00000	0.12080
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3	0.50000	0.50000	0.37920
4	0.50000	0.50000	0.62080

Set of atoms in the unit cell related by symmetry with the atom Er1:

Atom	x	y	z
1	0.00000	0.00000	0.34960
2	0.00000	0.00000	0.65040
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3	0.50000	0.50000	0.84960
4	0.50000	0.50000	0.15040

Set of atoms in the unit cell related by symmetry with the atom Sr2:

Atom	x	y	z
1	0.00000	0.50000	0.86700
2	0.00000	0.50000	0.13300
3	0.50000	0.00000	0.86700
4	0.50000	0.00000	0.13300
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5	0.50000	0.00000	0.36700
6	0.50000	0.00000	0.63300
7	0.00000	0.50000	0.36700
8	0.00000	0.50000	0.63300

Set of atoms in the unit cell related by symmetry with the atom Er2:

Atom	x	y	z
1	0.00000	0.50000	0.86700
2	0.00000	0.50000	0.13300
3	0.50000	0.00000	0.86700
4	0.50000	0.00000	0.13300
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5	0.50000	0.00000	0.36700
6	0.50000	0.00000	0.63300
7	0.00000	0.50000	0.36700
8	0.00000	0.50000	0.63300

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

Atom	x	y	z
1	0.00000	0.24420	0.23980
2	0.00000	0.75580	0.76020
3	0.00000	0.24420	0.76020
4	0.00000	0.75580	0.23980
5	0.75580	0.00000	0.23980
6	0.24420	0.00000	0.23980
7	0.24420	0.00000	0.76020
8	0.75580	0.00000	0.76020
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9	0.50000	0.74420	0.73980
10	0.50000	0.25580	0.26020
11	0.50000	0.74420	0.26020
12	0.50000	0.25580	0.73980
13	0.25580	0.50000	0.73980
14	0.74420	0.50000	0.73980
15	0.74420	0.50000	0.26020
16	0.25580	0.50000	0.26020

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

Atom	x	y	z
1	0.28700	0.28700	0.11790
2	0.28700	0.71300	0.88210
3	0.71300	0.28700	0.88210
4	0.71300	0.71300	0.11790
5	0.71300	0.71300	0.88210
6	0.71300	0.28700	0.11790
7	0.28700	0.71300	0.11790
8	0.28700	0.28700	0.88210
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9	0.78700	0.78700	0.61790
10	0.78700	0.21300	0.38210
11	0.21300	0.78700	0.38210
12	0.21300	0.21300	0.61790
13	0.21300	0.21300	0.38210
14	0.21300	0.78700	0.61790
15	0.78700	0.21300	0.61790
16	0.78700	0.78700	0.38210

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

Atom	x	y	z
1	0.72240	0.00000	0.00000
2	0.27760	0.00000	0.00000
3	0.00000	0.72240	0.00000
4	0.00000	0.27760	0.00000
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5	0.22240	0.50000	0.50000
6	0.77760	0.50000	0.50000
7	0.50000	0.22240	0.50000
8	0.50000	0.77760	0.50000

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

Atom	x	y	z
1	0.39200	0.50000	0.00000
2	0.60800	0.50000	0.00000
3	0.50000	0.39200	0.00000
4	0.50000	0.60800	0.00000
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5	0.89200	0.00000	0.50000
6	0.10800	0.00000	0.50000
7	0.00000	0.89200	0.50000
8	0.00000	0.10800	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.7488(9)	0.7488	0.00000	8	0,0,m_z	0.0	0.0	-2.4(1)	2.40
Co2	Co	0.25000	0.25000	0.25000	8	m_x,m_x,m_z	0.0	0.0	1.5(1)	1.50

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