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	{ 2₀₁₀ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	1.00000	1	M_x,M_y,M_z	-0.95	0.95
Mn1_2	Mn	0.00000	0.50000	1.00000	1	M_x,M_y,M_z	-0.95	0.95
Mn1_3	Mn	0.75000	0.75000	1.00000	1	M_x,M_y,M_z	0.91	0.91

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1_1	La	0.24205	0.25000	-0.01588	0.35000	4
La1_2	La	0.50795	0.25000	0.73412	0.35000	4
La1_3	La	0.50795	0.25000	0.23412	0.35000	4
La4	La	0.24205	0.25000	0.48412	0.35000	4
Pr1_1	Pr	0.24205	0.25000	-0.01588	0.35000	4
Pr1_2	Pr	0.50795	0.25000	0.73412	0.35000	4
Pr1_3	Pr	0.50795	0.25000	0.23412	0.35000	4
Pr1_4	Pr	0.24205	0.25000	0.48412	0.35000	4
Ca1_1	Ca	0.24205	0.25000	-0.01588	0.30000	4
Ca1_2	Ca	0.50795	0.25000	0.73412	0.30000	4
Ca1_3	Ca	0.50795	0.25000	0.23412	0.30000	4
Ca1_4	Ca	0.24205	0.25000	0.48412	0.30000	4
O1_1	O	0.28161	0.25000	0.75564	1.00000	4
O1_2	O	0.46839	0.25000	0.50564	1.00000	4
O1_3	O	0.46839	0.25000	0.00564	1.00000	4
O1_4	O	0.28161	0.25000	0.25564	1.00000	4
O2_1	O	0.10779	0.03681	0.86306	1.00000	8
O2_2	O	0.64221	0.46319	0.61306	1.00000	8
O2_3	O	0.35779	-0.03681	0.88695	1.00000	8
O2_4	O	0.10779	0.03681	0.36306	1.00000	8

[Show all atoms in unit cell and their moment relations]

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.24205	0.25000	0.98412
2	0.75795	0.75000	0.01588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.98412
4	0.25795	0.75000	0.01588

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.50795	0.25000	0.73412
2	0.49205	0.75000	0.26588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.73412
4	0.99205	0.75000	0.26588

Set of atoms in the unit cell related by symmetry with the atom La1_3:

Atom	x	y	z
1	0.50795	0.25000	0.23412
2	0.49205	0.75000	0.76588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.23412
4	0.99205	0.75000	0.76588

Set of atoms in the unit cell related by symmetry with the atom La4:

Atom	x	y	z
1	0.24205	0.25000	0.48412
2	0.75795	0.75000	0.51588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.48412
4	0.25795	0.75000	0.51588

Set of atoms in the unit cell related by symmetry with the atom Pr1_1:

Atom	x	y	z
1	0.24205	0.25000	0.98412
2	0.75795	0.75000	0.01588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.98412
4	0.25795	0.75000	0.01588

Set of atoms in the unit cell related by symmetry with the atom Pr1_2:

Atom	x	y	z
1	0.50795	0.25000	0.73412
2	0.49205	0.75000	0.26588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.73412
4	0.99205	0.75000	0.26588

Set of atoms in the unit cell related by symmetry with the atom Pr1_3:

Atom	x	y	z
1	0.50795	0.25000	0.23412
2	0.49205	0.75000	0.76588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.23412
4	0.99205	0.75000	0.76588

Set of atoms in the unit cell related by symmetry with the atom Pr1_4:

Atom	x	y	z
1	0.24205	0.25000	0.48412
2	0.75795	0.75000	0.51588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.48412
4	0.25795	0.75000	0.51588

Set of atoms in the unit cell related by symmetry with the atom Ca1_1:

Atom	x	y	z
1	0.24205	0.25000	0.98412
2	0.75795	0.75000	0.01588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.98412
4	0.25795	0.75000	0.01588

Set of atoms in the unit cell related by symmetry with the atom Ca1_2:

Atom	x	y	z
1	0.50795	0.25000	0.73412
2	0.49205	0.75000	0.26588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.73412
4	0.99205	0.75000	0.26588

Set of atoms in the unit cell related by symmetry with the atom Ca1_3:

Atom	x	y	z
1	0.50795	0.25000	0.23412
2	0.49205	0.75000	0.76588
(1/2,0,0)' + set click here to show and hide
3	0.00795	0.25000	0.23412
4	0.99205	0.75000	0.76588

Set of atoms in the unit cell related by symmetry with the atom Ca1_4:

Atom	x	y	z
1	0.24205	0.25000	0.48412
2	0.75795	0.75000	0.51588
(1/2,0,0)' + set click here to show and hide
3	0.74205	0.25000	0.48412
4	0.25795	0.75000	0.51588

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.28161	0.25000	0.75564
2	0.71839	0.75000	0.24436
(1/2,0,0)' + set click here to show and hide
3	0.78161	0.25000	0.75564
4	0.21839	0.75000	0.24436

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.46839	0.25000	0.50564
2	0.53161	0.75000	0.49436
(1/2,0,0)' + set click here to show and hide
3	0.96839	0.25000	0.50564
4	0.03161	0.75000	0.49436

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.46839	0.25000	0.00564
2	0.53161	0.75000	0.99436
(1/2,0,0)' + set click here to show and hide
3	0.96839	0.25000	0.00564
4	0.03161	0.75000	0.99436

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.28161	0.25000	0.25564
2	0.71839	0.75000	0.74436
(1/2,0,0)' + set click here to show and hide
3	0.78161	0.25000	0.25564
4	0.21839	0.75000	0.74436

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.10779	0.03681	0.86306
2	0.89221	0.53681	0.13694
3	0.89221	0.96319	0.13694
4	0.10779	0.46319	0.86306
(1/2,0,0)' + set click here to show and hide
5	0.60779	0.03681	0.86306
6	0.39221	0.53681	0.13694
7	0.39221	0.96319	0.13694
8	0.60779	0.46319	0.86306

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.64221	0.46319	0.61306
2	0.35779	0.96319	0.38694
3	0.35779	0.53681	0.38694
4	0.64221	0.03681	0.61306
(1/2,0,0)' + set click here to show and hide
5	0.14221	0.46319	0.61306
6	0.85779	0.96319	0.38694
7	0.85779	0.53681	0.38694
8	0.14221	0.03681	0.61306

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.35779	0.96319	0.88695
2	0.64221	0.46319	0.11305
3	0.64221	0.03681	0.11305
4	0.35779	0.53681	0.88695
(1/2,0,0)' + set click here to show and hide
5	0.85779	0.96319	0.88695
6	0.14221	0.46319	0.11305
7	0.14221	0.03681	0.11305
8	0.85779	0.53681	0.88695

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.10779	0.03681	0.36306
2	0.89221	0.53681	0.63694
3	0.89221	0.96319	0.63694
4	0.10779	0.46319	0.36306
(1/2,0,0)' + set click here to show and hide
5	0.60779	0.03681	0.36306
6	0.39221	0.53681	0.63694
7	0.39221	0.96319	0.63694
8	0.60779	0.46319	0.36306

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Label	Atom type	x	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1_1	Mn	0.00000	0.00000	1	M_x,M_y,M_z	-0.95	0.95
Mn1_2	Mn	0.00000	0.50000	1	M_x,M_y,M_z	-0.95	0.95
Mn1_3	Mn	0.75000	0.75000	1	M_x,M_y,M_z	0.91	0.91

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ1	2	2	special	primary	3
mU2-U3-	2	2	kernel	primary	6

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

La_0.35Pr_0.35Ca_0.3MnO₃ (#2.110)

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

La0.35Pr0.35Ca0.3MnO3 (#2.110)

La_0.35Pr_0.35Ca_0.3MnO₃ (#2.110)