MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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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+3/4,+1	{ 2₁₀₀ \| 0 1/2 3/4 }
3	-x+1/2,-y,-z+3/4,+1	{ -1 \| 1/2 0 3/4 }
4	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
5	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
6	-x+1/2,y,-z+1/4,-1	{ 2'₀₁₀ \| 1/2 0 1/4 }
7	x+1/2,y,-z+3/4,-1	{ m'₀₀₁ \| 1/2 0 3/4 }
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,-z+1/4,+1	{ 2₁₀₀ \| 1/2 0 1/4 }
11	-x,-y+1/2,-z+1/4,+1	{ -1 \| 0 1/2 1/4 }
12	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
13	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
14	-x,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 0 1/2 3/4 }
15	x,y+1/2,-z+1/4,-1	{ m'₀₀₁ \| 0 1/2 1/4 }
16	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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\|
Ir1	Ir	0.00000	0.00000	0.00000	0.92	8	m_x,m_y,0	0.05	0.19	0.0	0.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1_1	Sr	0.00000	0.00000	0.17573	1.	8
Sr1_2	Sr	0.00000	0.50000	0.42573	1.	8
Sn1	Sn	0.00000	0.00000	0.00000	0.08	8
O1	O	0.19810	0.19810	0.25000	0.861	16
O2	O	0.30190	0.30190	0.25000	0.139	16
O3_1	O	0.00000	0.00000	0.07974	1.	8
O3_2	O	0.00000	0.50000	0.32974	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 Ir1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	0.05000	0.19000	0.00000
2	0.00000	0.50000	0.75000	m_x,-m_y,0	0.05000	-0.19000	0.00000
3	0.50000	0.00000	0.75000	m_x,m_y,0	0.05000	0.19000	0.00000
4	0.50000	0.50000	0.00000	m_x,-m_y,0	0.05000	-0.19000	0.00000
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5	0.50000	0.50000	0.50000	m_x,m_y,0	0.05000	0.19000	0.00000
6	0.50000	0.00000	0.25000	m_x,-m_y,0	0.05000	-0.19000	0.00000
7	0.00000	0.50000	0.25000	m_x,m_y,0	0.05000	0.19000	0.00000
8	0.00000	0.00000	0.50000	m_x,-m_y,0	0.05000	-0.19000	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	0.17573
2	0.00000	0.50000	0.57427
3	0.50000	0.00000	0.57427
4	0.50000	0.50000	0.17573
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5	0.50000	0.50000	0.67573
6	0.50000	0.00000	0.07427
7	0.00000	0.50000	0.07427
8	0.00000	0.00000	0.67573

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

Atom	x	y	z
1	0.00000	0.50000	0.42573
2	0.00000	0.00000	0.32427
3	0.50000	0.50000	0.32427
4	0.50000	0.00000	0.42573
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5	0.50000	0.00000	0.92573
6	0.50000	0.50000	0.82427
7	0.00000	0.00000	0.82427
8	0.00000	0.50000	0.92573

Set of atoms in the unit cell related by symmetry with the atom Sn1:

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

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

Atom	x	y	z
1	0.19810	0.19810	0.25000
2	0.19810	0.30190	0.50000
3	0.30190	0.80190	0.50000
4	0.30190	0.69810	0.25000
5	0.80190	0.80190	0.25000
6	0.30190	0.19810	0.00000
7	0.69810	0.19810	0.50000
8	0.19810	0.80190	0.75000
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9	0.69810	0.69810	0.75000
10	0.69810	0.80190	0.00000
11	0.80190	0.30190	0.00000
12	0.80190	0.19810	0.75000
13	0.30190	0.30190	0.75000
14	0.80190	0.69810	0.50000
15	0.19810	0.69810	0.00000
16	0.69810	0.30190	0.25000

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

Atom	x	y	z
1	0.30190	0.30190	0.25000
2	0.30190	0.19810	0.50000
3	0.19810	0.69810	0.50000
4	0.19810	0.80190	0.25000
5	0.69810	0.69810	0.25000
6	0.19810	0.30190	0.00000
7	0.80190	0.30190	0.50000
8	0.30190	0.69810	0.75000
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9	0.80190	0.80190	0.75000
10	0.80190	0.69810	0.00000
11	0.69810	0.19810	0.00000
12	0.69810	0.30190	0.75000
13	0.19810	0.19810	0.75000
14	0.69810	0.80190	0.50000
15	0.30190	0.80190	0.00000
16	0.80190	0.19810	0.25000

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

Atom	x	y	z
1	0.00000	0.00000	0.07974
2	0.00000	0.50000	0.67026
3	0.50000	0.00000	0.67026
4	0.50000	0.50000	0.07974
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5	0.50000	0.50000	0.57974
6	0.50000	0.00000	0.17026
7	0.00000	0.50000	0.17026
8	0.00000	0.00000	0.57974

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

Atom	x	y	z
1	0.00000	0.50000	0.32974
2	0.00000	0.00000	0.42026
3	0.50000	0.50000	0.42026
4	0.50000	0.00000	0.32974
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.82974
6	0.50000	0.50000	0.92026
7	0.00000	0.00000	0.92026
8	0.00000	0.50000	0.82974

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ir1	Ir	0.00000	0.00000	0.00000	0.92	8	m_x,m_y,0	0.05	0.19	0.0	0.20

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5+	2	2	special	primary	2

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