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+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
7	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
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9	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
10	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 0 }
11	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
12	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
14	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
15	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
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9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

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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\|
Fe1	Fe	0.39349(10)	0.9983(7)	0.25000	1.	8	0,0,m_z	0.0	0.0	-3.99(5)	3.99
Fe2	Fe	0.75000	0.4392(7)	0.25000	1.	4	0,0,m_z	0.0	0.0	-3.58(8)	3.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.95181(6)	0.0020(4)	0.25000	0.2157(10)	8
Sr1	Sr	0.95181	0.0020	0.25000	0.7843	8
La2	La	0.8285(7)	0.9899(4)	0.25000	0.2843(10)	8
Sr2	Sr	0.8285	0.9899	0.25000	0.7157	8
O1	O	0.6087(3)	0.75000	0.00000	1.	8
O2	O	0.3860(2)	0.75000	0.00000	1.	8
O3	O	0.46285(17)	0.9748(12)	0.25000	1.	8
O4	O	0.30865(18)	0.0439(12)	0.25000	1.	8
O5	O	0.75000	0.108(2)	0.359(2)	0.5	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.39349	0.99830	0.25000	0,0,m_z	0.00000	0.00000	-3.99000
2	0.39349	0.50170	0.75000	0,0,-m_z	0.00000	0.00000	3.99000
3	0.60651	0.49830	0.25000	0,0,-m_z	0.00000	0.00000	3.99000
4	0.60651	0.00170	0.75000	0,0,m_z	0.00000	0.00000	-3.99000
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5	0.89349	0.49830	0.25000	0,0,-m_z	0.00000	0.00000	3.99000
6	0.89349	0.00170	0.75000	0,0,m_z	0.00000	0.00000	-3.99000
7	0.10651	0.99830	0.25000	0,0,m_z	0.00000	0.00000	-3.99000
8	0.10651	0.50170	0.75000	0,0,-m_z	0.00000	0.00000	3.99000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.75000	0.43920	0.25000	0,0,m_z	0.00000	0.00000	-3.58000
2	0.75000	0.06080	0.75000	0,0,-m_z	0.00000	0.00000	3.58000
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3	0.25000	0.93920	0.25000	0,0,-m_z	0.00000	0.00000	3.58000
4	0.25000	0.56080	0.75000	0,0,m_z	0.00000	0.00000	-3.58000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.95181	0.00200	0.25000
2	0.95181	0.49800	0.75000
3	0.04819	0.50200	0.25000
4	0.04819	0.99800	0.75000
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5	0.45181	0.50200	0.25000
6	0.45181	0.99800	0.75000
7	0.54819	0.00200	0.25000
8	0.54819	0.49800	0.75000

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

Atom	x	y	z
1	0.95181	0.00200	0.25000
2	0.95181	0.49800	0.75000
3	0.04819	0.50200	0.25000
4	0.04819	0.99800	0.75000
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5	0.45181	0.50200	0.25000
6	0.45181	0.99800	0.75000
7	0.54819	0.00200	0.25000
8	0.54819	0.49800	0.75000

Set of atoms in the unit cell related by symmetry with the atom La2:

Atom	x	y	z
1	0.82850	0.98990	0.25000
2	0.82850	0.51010	0.75000
3	0.17150	0.48990	0.25000
4	0.17150	0.01010	0.75000
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5	0.32850	0.48990	0.25000
6	0.32850	0.01010	0.75000
7	0.67150	0.98990	0.25000
8	0.67150	0.51010	0.75000

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

Atom	x	y	z
1	0.82850	0.98990	0.25000
2	0.82850	0.51010	0.75000
3	0.17150	0.48990	0.25000
4	0.17150	0.01010	0.75000
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5	0.32850	0.48990	0.25000
6	0.32850	0.01010	0.75000
7	0.67150	0.98990	0.25000
8	0.67150	0.51010	0.75000

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

Atom	x	y	z
1	0.60870	0.75000	0.00000
2	0.39130	0.25000	0.50000
3	0.39130	0.25000	0.00000
4	0.60870	0.75000	0.50000
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5	0.10870	0.25000	0.00000
6	0.89130	0.75000	0.50000
7	0.89130	0.75000	0.00000
8	0.10870	0.25000	0.50000

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

Atom	x	y	z
1	0.38600	0.75000	0.00000
2	0.61400	0.25000	0.50000
3	0.61400	0.25000	0.00000
4	0.38600	0.75000	0.50000
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5	0.88600	0.25000	0.00000
6	0.11400	0.75000	0.50000
7	0.11400	0.75000	0.00000
8	0.88600	0.25000	0.50000

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

Atom	x	y	z
1	0.46285	0.97480	0.25000
2	0.46285	0.52520	0.75000
3	0.53715	0.47480	0.25000
4	0.53715	0.02520	0.75000
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5	0.96285	0.47480	0.25000
6	0.96285	0.02520	0.75000
7	0.03715	0.97480	0.25000
8	0.03715	0.52520	0.75000

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

Atom	x	y	z
1	0.30865	0.04390	0.25000
2	0.30865	0.45610	0.75000
3	0.69135	0.54390	0.25000
4	0.69135	0.95610	0.75000
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5	0.80865	0.54390	0.25000
6	0.80865	0.95610	0.75000
7	0.19135	0.04390	0.25000
8	0.19135	0.45610	0.75000

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

Atom	x	y	z
1	0.75000	0.10800	0.35900
2	0.75000	0.39200	0.64100
3	0.25000	0.60800	0.14100
4	0.25000	0.89200	0.85900
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5	0.25000	0.60800	0.35900
6	0.25000	0.89200	0.64100
7	0.75000	0.10800	0.14100
8	0.75000	0.39200	0.85900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.39349(10)	0.9983(7)	0.25000	8	0,0,m_z	0.0	0.0	-3.99(5)	3.99
Fe2	Fe	0.75000	0.4392(7)	0.25000	4	0,0,m_z	0.0	0.0	-3.58(8)	3.58

label	dim. small irrep	dim. full irrep	action	number of modes
mY3-	1	1	primary	2

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