MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0)' + set click here to show and hide
5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 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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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.90440	0.25000	1.	4	m_x,0,m_z	3.63(1)	0.0	0.05(1)	3.61

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Na1	Na	0.00000	0.30190	0.25000	0.784	4
Li1	Li	0.00000	0.30190	0.25000	0.216	4
Ge1	Ge	0.28897	0.09371	0.23420	1.	8
O1	O	0.10576	0.08180	0.13340	1.	8
O2	O	0.35720	0.27410	0.29670	1.	8
O3	O	0.36220	0.00045	0.03030	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	0.00000	0.90440	0.25000	m_x,0,m_z	3.63000	0.00000	0.05000
2	0.50000	0.59560	0.75000	m_x,0,m_z	3.63000	0.00000	0.05000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.40440	0.25000	-m_x,0,-m_z	-3.63000	0.00000	-0.05000
4	0.00000	0.09560	0.75000	-m_x,0,-m_z	-3.63000	0.00000	-0.05000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.30190	0.25000
2	0.50000	0.19810	0.75000
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3	0.50000	0.80190	0.25000
4	0.00000	0.69810	0.75000

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

Atom	x	y	z
1	0.00000	0.30190	0.25000
2	0.50000	0.19810	0.75000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.80190	0.25000
4	0.00000	0.69810	0.75000

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

Atom	x	y	z
1	0.28897	0.09371	0.23420
2	0.21103	0.59371	0.26580
3	0.21103	0.40629	0.76580
4	0.28897	0.90629	0.73420
(1/2,1/2,0)' + set click here to show and hide
5	0.78897	0.59371	0.23420
6	0.71103	0.09371	0.26580
7	0.71103	0.90629	0.76580
8	0.78897	0.40629	0.73420

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

Atom	x	y	z
1	0.10576	0.08180	0.13340
2	0.39424	0.58180	0.36660
3	0.39424	0.41820	0.86660
4	0.10576	0.91820	0.63340
(1/2,1/2,0)' + set click here to show and hide
5	0.60576	0.58180	0.13340
6	0.89424	0.08180	0.36660
7	0.89424	0.91820	0.86660
8	0.60576	0.41820	0.63340

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

Atom	x	y	z
1	0.35720	0.27410	0.29670
2	0.14280	0.77410	0.20330
3	0.14280	0.22590	0.70330
4	0.35720	0.72590	0.79670
(1/2,1/2,0)' + set click here to show and hide
5	0.85720	0.77410	0.29670
6	0.64280	0.27410	0.20330
7	0.64280	0.72590	0.70330
8	0.85720	0.22590	0.79670

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

Atom	x	y	z
1	0.36220	0.00045	0.03030
2	0.13780	0.50045	0.46970
3	0.13780	0.49955	0.96970
4	0.36220	0.99955	0.53030
(1/2,1/2,0)' + set click here to show and hide
5	0.86220	0.50045	0.03030
6	0.63780	0.00045	0.46970
7	0.63780	0.99955	0.96970
8	0.86220	0.49955	0.53030

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.90440	0.25000	4	m_x,0,m_z	3.63(1)	0.0	0.05(1)	3.61

label	dim. small irrep	dim. full irrep	action	number of modes
mY2-	1	1	primary	2

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