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,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 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+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.00000	4	m_x,m_y,m_z	0.5(2)	1.4(1)	1.4(1)	2.04

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Na1	Na	0.33230	0.47500	0.08580	8
Ba1	Ba	0.00000	0.44950	0.25000	4
V1	V	0.33170	0.47760	0.36703	8
O1	O	0.32290	0.52240	0.25030	8
O2	O	0.38460	0.73930	0.41790	8
O3	O	0.45030	0.25650	0.39460	8
O4	O	0.17090	0.40060	0.41010	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	0.00000	0.50000	0.00000	m_x,m_y,m_z	0.50000	1.40000	1.40000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	-0.50000	1.40000	-1.40000
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3	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-0.50000	-1.40000	-1.40000
4	0.00000	0.50000	0.50000	m_x,-m_y,m_z	0.50000	-1.40000	1.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.33230	0.47500	0.08580
2	0.16770	0.97500	0.41420
3	0.66770	0.52500	0.91420
4	0.83230	0.02500	0.58580
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5	0.83230	0.97500	0.08580
6	0.66770	0.47500	0.41420
7	0.16770	0.02500	0.91420
8	0.33230	0.52500	0.58580

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.44950	0.25000
2	0.00000	0.55050	0.75000
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3	0.50000	0.94950	0.25000
4	0.50000	0.05050	0.75000

Set of atoms in the unit cell related by symmetry with the atom V1:

Atom	x	y	z
1	0.33170	0.47760	0.36703
2	0.16830	0.97760	0.13297
3	0.66830	0.52240	0.63297
4	0.83170	0.02240	0.86703
(1/2,1/2,0)' + set click here to show and hide
5	0.83170	0.97760	0.36703
6	0.66830	0.47760	0.13297
7	0.16830	0.02240	0.63297
8	0.33170	0.52240	0.86703

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

Atom	x	y	z
1	0.32290	0.52240	0.25030
2	0.17710	0.02240	0.24970
3	0.67710	0.47760	0.74970
4	0.82290	0.97760	0.75030
(1/2,1/2,0)' + set click here to show and hide
5	0.82290	0.02240	0.25030
6	0.67710	0.52240	0.24970
7	0.17710	0.97760	0.74970
8	0.32290	0.47760	0.75030

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

Atom	x	y	z
1	0.38460	0.73930	0.41790
2	0.11540	0.23930	0.08210
3	0.61540	0.26070	0.58210
4	0.88460	0.76070	0.91790
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5	0.88460	0.23930	0.41790
6	0.61540	0.73930	0.08210
7	0.11540	0.76070	0.58210
8	0.38460	0.26070	0.91790

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

Atom	x	y	z
1	0.45030	0.25650	0.39460
2	0.04970	0.75650	0.10540
3	0.54970	0.74350	0.60540
4	0.95030	0.24350	0.89460
(1/2,1/2,0)' + set click here to show and hide
5	0.95030	0.75650	0.39460
6	0.54970	0.25650	0.10540
7	0.04970	0.24350	0.60540
8	0.45030	0.74350	0.89460

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

Atom	x	y	z
1	0.17090	0.40060	0.41010
2	0.32910	0.90060	0.08990
3	0.82910	0.59940	0.58990
4	0.67090	0.09940	0.91010
(1/2,1/2,0)' + set click here to show and hide
5	0.67090	0.90060	0.41010
6	0.82910	0.40060	0.08990
7	0.32910	0.09940	0.58990
8	0.17090	0.59940	0.91010

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.50000	0.00000	4	m_x,m_y,m_z	0.5(2)	1.4(1)	1.4(1)	2.04

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