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,z,+1	{ 2₀₀₁ \| 0 }
3	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
4	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,y,-z,+1	{ m₀₀₁ \| 0 }
7	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
12	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
13	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
14	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
15	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(1/2,1/2,0)' + set click here to show and hide
17	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
18	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
19	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
20	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
21	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
22	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
23	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }
24	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
(0,1/2,1/2)' + set click here to show and hide
25	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
26	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
27	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
28	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
29	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
30	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
31	-x,y,z,-1	{ m'₁₀₀ \| 0 }
32	x,-y,z,-1	{ m'₀₁₀ \| 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	2₀₀₁
3	x,-y,-z,+1	2₁₀₀
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	-x,y,z,+1	m₁₀₀
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	-x,y,z,-1	m'₁₀₀
16	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\|
Nd1_1	Nd	0.00000	0.00000	0.35890	0.5000	8	0,0,m_z	0.0	0.0	-2.45(1)	2.45
Fe1_1	Fe	0.00000	0.00000	0.00000	1.0000	4	0,0,m_z	0.0	0.0	4.23(9)	4.23

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1_1	Sr	0.00000	0.00000	0.35890	0.5000	8
O1_1	O	0.25000	0.25000	0.00000	1.0000	8
O2_1	O	0.00000	0.00000	0.17050	1.0000	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 Nd1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.35890	0,0,m_z	0.00000	0.00000	-2.45000
2	0.00000	0.50000	0.14110	0,0,-m_z	0.00000	0.00000	2.45000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.85890	0,0,m_z	0.00000	0.00000	-2.45000
4	0.50000	0.50000	0.64110	0,0,-m_z	0.00000	0.00000	2.45000
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.35890	0,0,-m_z	0.00000	0.00000	2.45000
6	0.50000	0.00000	0.14110	0,0,m_z	0.00000	0.00000	-2.45000
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.50000	0.85890	0,0,-m_z	0.00000	0.00000	2.45000
8	0.00000	0.00000	0.64110	0,0,m_z	0.00000	0.00000	-2.45000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.23000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	4.23000
(1/2,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-4.23000
(0,1/2,1/2)' + set click here to show and hide
4	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-4.23000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.00000	0.00000	0.35890
2	0.00000	0.50000	0.14110
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.85890
4	0.50000	0.50000	0.64110
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.35890
6	0.50000	0.00000	0.14110
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.50000	0.85890
8	0.00000	0.00000	0.64110

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

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.25000	0.25000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.50000
4	0.75000	0.25000	0.00000
(1/2,1/2,0)' + set click here to show and hide
5	0.75000	0.75000	0.00000
6	0.75000	0.75000	0.50000
(0,1/2,1/2)' + set click here to show and hide
7	0.25000	0.75000	0.50000
8	0.25000	0.75000	0.00000

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

Atom	x	y	z
1	0.00000	0.00000	0.17050
2	0.00000	0.50000	0.32950
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.67050
4	0.50000	0.50000	0.82950
(1/2,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.17050
6	0.50000	0.00000	0.32950
(0,1/2,1/2)' + set click here to show and hide
7	0.00000	0.50000	0.67050
8	0.00000	0.00000	0.82950

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1_1	Nd	0.00000	0.00000	0.35890	0.5000	8	0,0,m_z	0.0	0.0	-2.45(1)	2.45
Fe1_1	Fe	0.00000	0.00000	0.00000	1.0000	4	0,0,m_z	0.0	0.0	4.23(9)	4.23

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

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