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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn	0.00000	0.3328(2)	0.00000	8	m_x,0,m_z	0.0	0.00
Mn2_1	Mn	0.2392(4)	0.00000	0.25000	4	m_x,0,0	0.0	0.00
Mn2_2	Mn	0.8826(3)	0.8820(2)	0.25000	8	m_x,m_y,0	1.48(1)	1.48

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Si1_1	Si	0.5991(3)	0.00000	0.25000	4
Si1_2	Si	0.7002(2)	0.7000(1)	0.25000	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33280	0.00000	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.00000	0.66720	0.50000	m_x,0,-m_z	0.00000	0.00000	0.00000
3	0.00000	0.66720	0.00000	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.00000	0.33280	0.50000	m_x,0,-m_z	0.00000	0.00000	0.00000
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5	0.50000	0.83280	0.00000	-m_x,0,-m_z	0.00000	0.00000	0.00000
6	0.50000	0.16720	0.50000	-m_x,0,m_z	0.00000	0.00000	0.00000
7	0.50000	0.16720	0.00000	-m_x,0,-m_z	0.00000	0.00000	0.00000
8	0.50000	0.83280	0.50000	-m_x,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.23920	0.00000	0.25000	m_x,0,0	0.00000	0.00000	0.00000
2	0.26080	0.50000	0.75000	-m_x,0,0	0.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
3	0.73920	0.50000	0.25000	-m_x,0,0	0.00000	0.00000	0.00000
4	0.76080	0.00000	0.75000	m_x,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.88260	0.88200	0.25000	m_x,m_y,0	0.00000	1.48000	0.00000
2	0.61740	0.38200	0.75000	-m_x,m_y,0	0.00000	1.48000	0.00000
3	0.88260	0.11800	0.25000	m_x,-m_y,0	0.00000	-1.48000	0.00000
4	0.61740	0.61800	0.75000	-m_x,-m_y,0	0.00000	-1.48000	0.00000
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5	0.38260	0.38200	0.25000	-m_x,-m_y,0	0.00000	-1.48000	0.00000
6	0.11740	0.88200	0.75000	m_x,-m_y,0	0.00000	-1.48000	0.00000
7	0.38260	0.61800	0.25000	-m_x,m_y,0	0.00000	1.48000	0.00000
8	0.11740	0.11800	0.75000	m_x,m_y,0	0.00000	1.48000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Si1_1:

Atom	x	y	z
1	0.59910	0.00000	0.25000
2	0.90090	0.50000	0.75000
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3	0.09910	0.50000	0.25000
4	0.40090	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si1_2:

Atom	x	y	z
1	0.70020	0.70000	0.25000
2	0.79980	0.20000	0.75000
3	0.70020	0.30000	0.25000
4	0.79980	0.80000	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.20020	0.20000	0.25000
6	0.29980	0.70000	0.75000
7	0.20020	0.80000	0.25000
8	0.29980	0.30000	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn	0.00000	0.3328(2)	0.00000	8	m_x,0,m_z	0.0	0.00
Mn2_1	Mn	0.2392(4)	0.00000	0.25000	4	m_x,0,0	0.0	0.00
Mn2_2	Mn	0.8826(3)	0.8820(2)	0.25000	8	m_x,m_y,0	1.48(1)	1.48

label	dim. small irrep	dim. full irrep	action	number of modes
mM3+	1	3	primary	5

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