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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 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	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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.38745	0.91490	0.74350	8	m_x,m_y,m_z	1.7(1)	-1.6(1)	2.8(1)	3.64

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.12905	0.76080	0.99890	8
Te1	Te	0.12915	0.08380	0.73520	8
O1	O	0.31140	0.74740	0.65720	8
O2	O	0.45015	0.42150	0.86110	8
O3	O	0.45020	0.73450	0.87270	8
O4	O	0.23060	0.94690	0.85110	8
O5	O	0.47830	0.05470	0.84380	8
O6	O	0.22000	0.57810	0.87700	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	0.38745	0.91490	0.74350	m_x,m_y,m_z	1.70000	-1.60000	2.80000
2	0.11255	0.41490	0.75650	-m_x,m_y,-m_z	-1.70000	-1.60000	-2.80000
3	0.11255	0.08510	0.25650	m_x,m_y,m_z	1.70000	-1.60000	2.80000
4	0.38745	0.58510	0.24350	-m_x,m_y,-m_z	-1.70000	-1.60000	-2.80000
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5	0.88745	0.91490	0.74350	-m_x,-m_y,-m_z	-1.70000	1.60000	-2.80000
6	0.61255	0.41490	0.75650	m_x,-m_y,m_z	1.70000	1.60000	2.80000
7	0.61255	0.08510	0.25650	-m_x,-m_y,-m_z	-1.70000	1.60000	-2.80000
8	0.88745	0.58510	0.24350	m_x,-m_y,m_z	1.70000	1.60000	2.80000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.12905	0.76080	0.99890
2	0.37095	0.26080	0.50110
3	0.37095	0.23920	0.00110
4	0.12905	0.73920	0.49890
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5	0.62905	0.76080	0.99890
6	0.87095	0.26080	0.50110
7	0.87095	0.23920	0.00110
8	0.62905	0.73920	0.49890

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

Atom	x	y	z
1	0.12915	0.08380	0.73520
2	0.37085	0.58380	0.76480
3	0.37085	0.91620	0.26480
4	0.12915	0.41620	0.23520
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5	0.62915	0.08380	0.73520
6	0.87085	0.58380	0.76480
7	0.87085	0.91620	0.26480
8	0.62915	0.41620	0.23520

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

Atom	x	y	z
1	0.31140	0.74740	0.65720
2	0.18860	0.24740	0.84280
3	0.18860	0.25260	0.34280
4	0.31140	0.75260	0.15720
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5	0.81140	0.74740	0.65720
6	0.68860	0.24740	0.84280
7	0.68860	0.25260	0.34280
8	0.81140	0.75260	0.15720

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

Atom	x	y	z
1	0.45015	0.42150	0.86110
2	0.04985	0.92150	0.63890
3	0.04985	0.57850	0.13890
4	0.45015	0.07850	0.36110
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5	0.95015	0.42150	0.86110
6	0.54985	0.92150	0.63890
7	0.54985	0.57850	0.13890
8	0.95015	0.07850	0.36110

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

Atom	x	y	z
1	0.45020	0.73450	0.87270
2	0.04980	0.23450	0.62730
3	0.04980	0.26550	0.12730
4	0.45020	0.76550	0.37270
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5	0.95020	0.73450	0.87270
6	0.54980	0.23450	0.62730
7	0.54980	0.26550	0.12730
8	0.95020	0.76550	0.37270

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

Atom	x	y	z
1	0.23060	0.94690	0.85110
2	0.26940	0.44690	0.64890
3	0.26940	0.05310	0.14890
4	0.23060	0.55310	0.35110
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5	0.73060	0.94690	0.85110
6	0.76940	0.44690	0.64890
7	0.76940	0.05310	0.14890
8	0.73060	0.55310	0.35110

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

Atom	x	y	z
1	0.47830	0.05470	0.84380
2	0.02170	0.55470	0.65620
3	0.02170	0.94530	0.15620
4	0.47830	0.44530	0.34380
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5	0.97830	0.05470	0.84380
6	0.52170	0.55470	0.65620
7	0.52170	0.94530	0.15620
8	0.97830	0.44530	0.34380

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.22000	0.57810	0.87700
2	0.28000	0.07810	0.62300
3	0.28000	0.42190	0.12300
4	0.22000	0.92190	0.37700
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5	0.72000	0.57810	0.87700
6	0.78000	0.07810	0.62300
7	0.78000	0.42190	0.12300
8	0.72000	0.92190	0.37700

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.38745	0.91490	0.74350	8	m_x,m_y,m_z	1.7(1)	-1.6(1)	2.8(1)	3.64

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	3

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