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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25	0.50000	0.00000	8	m_x,m_y,m_z	-3.6	0.0	-1.8	4.04
Mn2	Mn	0.2445	0.052	0.117	16	m_x,m_y,m_z	4.2	0.0	2.1	4.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.00000	0.00000	0.00000	8
O1	O	0.0925	0.293	0.045	16
O2	O	0.3475	0.181	0.4775	16
O3	O	0.4375	0.915	0.1095	16

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	0.25000	0.50000	0.00000	m_x,m_y,m_z	-3.60000	0.00000	-1.80000
2	0.00000	0.00000	0.75000	-m_x,m_y,-m_z	3.60000	0.00000	1.80000
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3	0.75000	0.50000	0.50000	m_x,m_y,m_z	-3.60000	0.00000	-1.80000
4	0.50000	0.00000	0.25000	-m_x,m_y,-m_z	3.60000	0.00000	1.80000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.50000	0.50000	-m_x,-m_y,-m_z	3.60000	0.00000	1.80000
6	0.00000	0.00000	0.25000	m_x,-m_y,m_z	-3.60000	0.00000	-1.80000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.50000	0.00000	-m_x,-m_y,-m_z	3.60000	0.00000	1.80000
8	0.50000	0.00000	0.75000	m_x,-m_y,m_z	-3.60000	0.00000	-1.80000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.24450	0.05200	0.11700	m_x,m_y,m_z	4.20000	0.00000	2.10000
2	0.00550	0.55200	0.63300	-m_x,m_y,-m_z	-4.20000	0.00000	-2.10000
3	0.25550	0.94800	0.88300	m_x,m_y,m_z	4.20000	0.00000	2.10000
4	0.99450	0.44800	0.86700	-m_x,m_y,-m_z	-4.20000	0.00000	-2.10000
(1/2,0,1/2) + set click here to show and hide
5	0.74450	0.05200	0.61700	m_x,m_y,m_z	4.20000	0.00000	2.10000
6	0.50550	0.55200	0.13300	-m_x,m_y,-m_z	-4.20000	0.00000	-2.10000
7	0.75550	0.94800	0.38300	m_x,m_y,m_z	4.20000	0.00000	2.10000
8	0.49450	0.44800	0.36700	-m_x,m_y,-m_z	-4.20000	0.00000	-2.10000
(0,0,1/2)' + set click here to show and hide
9	0.24450	0.05200	0.61700	-m_x,-m_y,-m_z	-4.20000	0.00000	-2.10000
10	0.00550	0.55200	0.13300	m_x,-m_y,m_z	4.20000	0.00000	2.10000
11	0.25550	0.94800	0.38300	-m_x,-m_y,-m_z	-4.20000	0.00000	-2.10000
12	0.99450	0.44800	0.36700	m_x,-m_y,m_z	4.20000	0.00000	2.10000
(1/2,0,0)' + set click here to show and hide
13	0.74450	0.05200	0.11700	-m_x,-m_y,-m_z	-4.20000	0.00000	-2.10000
14	0.50550	0.55200	0.63300	m_x,-m_y,m_z	4.20000	0.00000	2.10000
15	0.75550	0.94800	0.88300	-m_x,-m_y,-m_z	-4.20000	0.00000	-2.10000
16	0.49450	0.44800	0.86700	m_x,-m_y,m_z	4.20000	0.00000	2.10000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.25000	0.50000	0.75000
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3	0.50000	0.00000	0.50000
4	0.75000	0.50000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000
6	0.25000	0.50000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000
8	0.75000	0.50000	0.75000

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

Atom	x	y	z
1	0.09250	0.29300	0.04500
2	0.15750	0.79300	0.70500
3	0.40750	0.70700	0.95500
4	0.84250	0.20700	0.79500
(1/2,0,1/2) + set click here to show and hide
5	0.59250	0.29300	0.54500
6	0.65750	0.79300	0.20500
7	0.90750	0.70700	0.45500
8	0.34250	0.20700	0.29500
(0,0,1/2)' + set click here to show and hide
9	0.09250	0.29300	0.54500
10	0.15750	0.79300	0.20500
11	0.40750	0.70700	0.45500
12	0.84250	0.20700	0.29500
(1/2,0,0)' + set click here to show and hide
13	0.59250	0.29300	0.04500
14	0.65750	0.79300	0.70500
15	0.90750	0.70700	0.95500
16	0.34250	0.20700	0.79500

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

Atom	x	y	z
1	0.34750	0.18100	0.47750
2	0.90250	0.68100	0.27250
3	0.15250	0.81900	0.52250
4	0.09750	0.31900	0.22750
(1/2,0,1/2) + set click here to show and hide
5	0.84750	0.18100	0.97750
6	0.40250	0.68100	0.77250
7	0.65250	0.81900	0.02250
8	0.59750	0.31900	0.72750
(0,0,1/2)' + set click here to show and hide
9	0.34750	0.18100	0.97750
10	0.90250	0.68100	0.77250
11	0.15250	0.81900	0.02250
12	0.09750	0.31900	0.72750
(1/2,0,0)' + set click here to show and hide
13	0.84750	0.18100	0.47750
14	0.40250	0.68100	0.27250
15	0.65250	0.81900	0.52250
16	0.59750	0.31900	0.22750

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

Atom	x	y	z
1	0.43750	0.91500	0.10950
2	0.81250	0.41500	0.64050
3	0.06250	0.08500	0.89050
4	0.18750	0.58500	0.85950
(1/2,0,1/2) + set click here to show and hide
5	0.93750	0.91500	0.60950
6	0.31250	0.41500	0.14050
7	0.56250	0.08500	0.39050
8	0.68750	0.58500	0.35950
(0,0,1/2)' + set click here to show and hide
9	0.43750	0.91500	0.60950
10	0.81250	0.41500	0.14050
11	0.06250	0.08500	0.39050
12	0.18750	0.58500	0.35950
(1/2,0,0)' + set click here to show and hide
13	0.93750	0.91500	0.10950
14	0.31250	0.41500	0.64050
15	0.56250	0.08500	0.89050
16	0.68750	0.58500	0.85950

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25	0.50000	0.00000	8	m_x,m_y,m_z	-3.6	0.0	-1.8	4.04
Mn2	Mn	0.2445	0.052	0.117	16	m_x,m_y,m_z	4.2	0.0	2.1	4.71

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	6

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