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+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 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+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 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
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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\|
Fe1	Fe	0.12537	0.65072	0.21350	8	m_x,m_y,m_z	4.51(2)	0.03(4)	1.38(5)	4.27

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.12905	0.48940	0.72290	8
Ge1	Ge	0.02304	0.34196	0.28184	8
Ge2	Ge	0.27639	0.83939	0.23032	8
O1	O	0.92920	0.33210	0.17610	8
O2	O	0.05730	0.52190	0.28630	8
O3	O	0.05905	0.29070	0.61590	8
O4	O	0.18230	0.83150	0.10750	8
O5	O	0.31480	0.00380	0.38450	8
O6	O	0.30610	0.68910	0.45710	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	0.12537	0.65072	0.21350	m_x,m_y,m_z	4.51000	0.03000	1.38000
2	0.87463	0.15072	0.28650	-m_x,m_y,-m_z	-4.51000	0.03000	-1.38000
3	0.87463	0.34928	0.78650	m_x,m_y,m_z	4.51000	0.03000	1.38000
4	0.12537	0.84928	0.71350	-m_x,m_y,-m_z	-4.51000	0.03000	-1.38000
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5	0.62537	0.65072	0.21350	-m_x,-m_y,-m_z	-4.51000	-0.03000	-1.38000
6	0.37463	0.15072	0.28650	m_x,-m_y,m_z	4.51000	-0.03000	1.38000
7	0.37463	0.34928	0.78650	-m_x,-m_y,-m_z	-4.51000	-0.03000	-1.38000
8	0.62537	0.84928	0.71350	m_x,-m_y,m_z	4.51000	-0.03000	1.38000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.12905	0.48940	0.72290
2	0.87095	0.98940	0.77710
3	0.87095	0.51060	0.27710
4	0.12905	0.01060	0.22290
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5	0.62905	0.48940	0.72290
6	0.37095	0.98940	0.77710
7	0.37095	0.51060	0.27710
8	0.62905	0.01060	0.22290

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.02304	0.34196	0.28184
2	0.97696	0.84196	0.21816
3	0.97696	0.65804	0.71816
4	0.02304	0.15804	0.78184
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5	0.52304	0.34196	0.28184
6	0.47696	0.84196	0.21816
7	0.47696	0.65804	0.71816
8	0.52304	0.15804	0.78184

Set of atoms in the unit cell related by symmetry with the atom Ge2:

Atom	x	y	z
1	0.27639	0.83939	0.23032
2	0.72361	0.33939	0.26968
3	0.72361	0.16061	0.76968
4	0.27639	0.66061	0.73032
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5	0.77639	0.83939	0.23032
6	0.22361	0.33939	0.26968
7	0.22361	0.16061	0.76968
8	0.77639	0.66061	0.73032

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

Atom	x	y	z
1	0.92920	0.33210	0.17610
2	0.07080	0.83210	0.32390
3	0.07080	0.66790	0.82390
4	0.92920	0.16790	0.67610
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5	0.42920	0.33210	0.17610
6	0.57080	0.83210	0.32390
7	0.57080	0.66790	0.82390
8	0.42920	0.16790	0.67610

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

Atom	x	y	z
1	0.05730	0.52190	0.28630
2	0.94270	0.02190	0.21370
3	0.94270	0.47810	0.71370
4	0.05730	0.97810	0.78630
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5	0.55730	0.52190	0.28630
6	0.44270	0.02190	0.21370
7	0.44270	0.47810	0.71370
8	0.55730	0.97810	0.78630

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

Atom	x	y	z
1	0.05905	0.29070	0.61590
2	0.94095	0.79070	0.88410
3	0.94095	0.70930	0.38410
4	0.05905	0.20930	0.11590
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5	0.55905	0.29070	0.61590
6	0.44095	0.79070	0.88410
7	0.44095	0.70930	0.38410
8	0.55905	0.20930	0.11590

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

Atom	x	y	z
1	0.18230	0.83150	0.10750
2	0.81770	0.33150	0.39250
3	0.81770	0.16850	0.89250
4	0.18230	0.66850	0.60750
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5	0.68230	0.83150	0.10750
6	0.31770	0.33150	0.39250
7	0.31770	0.16850	0.89250
8	0.68230	0.66850	0.60750

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

Atom	x	y	z
1	0.31480	0.00380	0.38450
2	0.68520	0.50380	0.11550
3	0.68520	0.99620	0.61550
4	0.31480	0.49620	0.88450
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5	0.81480	0.00380	0.38450
6	0.18520	0.50380	0.11550
7	0.18520	0.99620	0.61550
8	0.81480	0.49620	0.88450

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

Atom	x	y	z
1	0.30610	0.68910	0.45710
2	0.69390	0.18910	0.04290
3	0.69390	0.31090	0.54290
4	0.30610	0.81090	0.95710
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5	0.80610	0.68910	0.45710
6	0.19390	0.18910	0.04290
7	0.19390	0.31090	0.54290
8	0.80610	0.81090	0.95710

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12537	0.65072	0.21350	8	m_x,m_y,m_z	4.51(2)	0.03(4)	1.38(5)	4.27

label	dim. small irrep	dim. full irrep	action
mY1+	1	1	primary

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