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
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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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12580	0.65360	0.24260	1.	8	m_x,m_y,m_z	3.69(3)	0.0	-0.02(2)	3.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Na1	Na	0.12980	0.44380	0.72900	0.69	8
Li1	Li	0.29480	0.44380	0.72900	0.31	8
Ge1	Ge	0.01997	0.34420	0.24450	1.	8
Ge2	Ge	0.27020	0.84300	0.23060	1.	8
O1	O	0.42785	0.33580	0.14630	1.	8
O2	O	0.05380	0.52290	0.28820	1.	8
O3	O	0.05600	0.26140	0.54780	1.	8
O4	O	0.17875	0.82830	0.12260	1.	8
O5	O	0.30425	0.01980	0.31750	1.	8
O6	O	0.30680	0.73040	0.50580	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12580	0.65360	0.24260	m_x,m_y,m_z	3.69000	0.00000	-0.02000
2	0.37420	0.15360	0.25740	-m_x,m_y,-m_z	-3.69000	0.00000	0.02000
3	0.37420	0.34640	0.75740	m_x,m_y,m_z	3.69000	0.00000	-0.02000
4	0.12580	0.84640	0.74260	-m_x,m_y,-m_z	-3.69000	0.00000	0.02000
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5	0.62580	0.65360	0.24260	-m_x,-m_y,-m_z	-3.69000	0.00000	0.02000
6	0.87420	0.15360	0.25740	m_x,-m_y,m_z	3.69000	0.00000	-0.02000
7	0.87420	0.34640	0.75740	-m_x,-m_y,-m_z	-3.69000	0.00000	0.02000
8	0.62580	0.84640	0.74260	m_x,-m_y,m_z	3.69000	0.00000	-0.02000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Na1:

Atom	x	y	z
1	0.12980	0.44380	0.72900
2	0.37020	0.94380	0.77100
3	0.37020	0.55620	0.27100
4	0.12980	0.05620	0.22900
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5	0.62980	0.44380	0.72900
6	0.87020	0.94380	0.77100
7	0.87020	0.55620	0.27100
8	0.62980	0.05620	0.22900

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

Atom	x	y	z
1	0.29480	0.44380	0.72900
2	0.20520	0.94380	0.77100
3	0.20520	0.55620	0.27100
4	0.29480	0.05620	0.22900
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5	0.79480	0.44380	0.72900
6	0.70520	0.94380	0.77100
7	0.70520	0.55620	0.27100
8	0.79480	0.05620	0.22900

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

Atom	x	y	z
1	0.01997	0.34420	0.24450
2	0.48003	0.84420	0.25550
3	0.48003	0.65580	0.75550
4	0.01997	0.15580	0.74450
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5	0.51997	0.34420	0.24450
6	0.98003	0.84420	0.25550
7	0.98003	0.65580	0.75550
8	0.51997	0.15580	0.74450

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

Atom	x	y	z
1	0.27020	0.84300	0.23060
2	0.22980	0.34300	0.26940
3	0.22980	0.15700	0.76940
4	0.27020	0.65700	0.73060
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5	0.77020	0.84300	0.23060
6	0.72980	0.34300	0.26940
7	0.72980	0.15700	0.76940
8	0.77020	0.65700	0.73060

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

Atom	x	y	z
1	0.42785	0.33580	0.14630
2	0.07215	0.83580	0.35370
3	0.07215	0.66420	0.85370
4	0.42785	0.16420	0.64630
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5	0.92785	0.33580	0.14630
6	0.57215	0.83580	0.35370
7	0.57215	0.66420	0.85370
8	0.92785	0.16420	0.64630

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

Atom	x	y	z
1	0.05380	0.52290	0.28820
2	0.44620	0.02290	0.21180
3	0.44620	0.47710	0.71180
4	0.05380	0.97710	0.78820
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5	0.55380	0.52290	0.28820
6	0.94620	0.02290	0.21180
7	0.94620	0.47710	0.71180
8	0.55380	0.97710	0.78820

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

Atom	x	y	z
1	0.05600	0.26140	0.54780
2	0.44400	0.76140	0.95220
3	0.44400	0.73860	0.45220
4	0.05600	0.23860	0.04780
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5	0.55600	0.26140	0.54780
6	0.94400	0.76140	0.95220
7	0.94400	0.73860	0.45220
8	0.55600	0.23860	0.04780

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

Atom	x	y	z
1	0.17875	0.82830	0.12260
2	0.32125	0.32830	0.37740
3	0.32125	0.17170	0.87740
4	0.17875	0.67170	0.62260
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5	0.67875	0.82830	0.12260
6	0.82125	0.32830	0.37740
7	0.82125	0.17170	0.87740
8	0.67875	0.67170	0.62260

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

Atom	x	y	z
1	0.30425	0.01980	0.31750
2	0.19575	0.51980	0.18250
3	0.19575	0.98020	0.68250
4	0.30425	0.48020	0.81750
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5	0.80425	0.01980	0.31750
6	0.69575	0.51980	0.18250
7	0.69575	0.98020	0.68250
8	0.80425	0.48020	0.81750

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

Atom	x	y	z
1	0.30680	0.73040	0.50580
2	0.19320	0.23040	0.99420
3	0.19320	0.26960	0.49420
4	0.30680	0.76960	0.00580
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5	0.80680	0.73040	0.50580
6	0.69320	0.23040	0.99420
7	0.69320	0.26960	0.49420
8	0.80680	0.76960	0.00580

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.12580	0.65360	0.24260	8	m_x,m_y,m_z	3.69(3)	0.0	-0.02(2)	3.70

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

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