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,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
3	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
4	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
5	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
6	x,-y,z,+1	{ m₀₁₀ \| 0 }
7	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
8	-x,y,z,+1	{ m₁₀₀ \| 0 }
(0,1/2,1/2) + set click here to show and hide
9	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
10	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
12	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
15	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
16	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
(1/2,0,1/2)' + set click here to show and hide
17	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
18	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
19	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
20	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
21	-x,-y,-z,-1	{ -1' \| 0 }
22	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
23	x,y,-z,-1	{ m'₀₀₁ \| 0 }
24	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
27	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
28	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
29	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
30	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
31	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
32	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 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	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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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\|
Mn1	Mn	0.25000	0.00000	0.25000	1.	8	0,m_y,0	0.0	3.4	0.0	3.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pr1	Pr	0.00000	0.25060	0.00000	0.5	8
Sr1	Sr	0.00000	0.25060	0.00000	0.5	8
O1	O	0.21350	0.00000	0.00000	1.	8
O2	O	0.00000	0.00000	0.28790	1.	8
O3	O	0.25000	0.25000	0.25000	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.25000	0,m_y,0	0.00000	3.40000	0.00000
2	0.75000	0.00000	0.25000	0,-m_y,0	0.00000	-3.40000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.75000	0,m_y,0	0.00000	3.40000	0.00000
4	0.75000	0.50000	0.75000	0,-m_y,0	0.00000	-3.40000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.75000	0.00000	0.75000	0,-m_y,0	0.00000	-3.40000	0.00000
6	0.25000	0.00000	0.75000	0,m_y,0	0.00000	3.40000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.50000	0.25000	0,-m_y,0	0.00000	-3.40000	0.00000
8	0.25000	0.50000	0.25000	0,m_y,0	0.00000	3.40000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pr1:

Atom	x	y	z
1	0.00000	0.25060	0.00000
2	0.00000	0.74940	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75060	0.50000
4	0.00000	0.24940	0.50000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.25060	0.50000
6	0.50000	0.74940	0.50000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.75060	0.00000
8	0.50000	0.24940	0.00000

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.00000	0.25060	0.00000
2	0.00000	0.74940	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75060	0.50000
4	0.00000	0.24940	0.50000
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.25060	0.50000
6	0.50000	0.74940	0.50000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.75060	0.00000
8	0.50000	0.24940	0.00000

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

Atom	x	y	z
1	0.21350	0.00000	0.00000
2	0.28650	0.00000	0.50000
(0,1/2,1/2) + set click here to show and hide
3	0.21350	0.50000	0.50000
4	0.28650	0.50000	0.00000
(1/2,0,1/2)' + set click here to show and hide
5	0.71350	0.00000	0.50000
6	0.78650	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.71350	0.50000	0.00000
8	0.78650	0.50000	0.50000

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

Atom	x	y	z
1	0.00000	0.00000	0.28790
2	0.50000	0.00000	0.21210
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.78790
4	0.50000	0.50000	0.71210
(1/2,0,1/2)' + set click here to show and hide
5	0.50000	0.00000	0.78790
6	0.00000	0.00000	0.71210
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.28790
8	0.00000	0.50000	0.21210

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

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.25000	0.75000	0.25000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75000
4	0.25000	0.25000	0.75000
(1/2,0,1/2)' + set click here to show and hide
5	0.75000	0.25000	0.75000
6	0.75000	0.75000	0.75000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.25000
8	0.75000	0.25000	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.00000	0.25000	8	0,m_y,0	0.0	3.4	0.0	3.40

label	dim. small irrep	dim. full irrep	action	number of modes
mX2+	1	2	primary	1

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