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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-y+1/2,x,-z+3/4,+1	{ -4^-₀₀₁ \| 1/2 0 3/4 }
6	y,-x+1/2,-z+3/4,+1	{ -4⁺₀₀₁ \| 0 1/2 3/4 }
7	-y,-x+1/2,z+3/4,+1	{ m₁₁₀ \| 0 1/2 3/4 }
8	y+1/2,x,z+3/4,+1	{ m_1-10 \| 1/2 0 3/4 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
11	x,-y,-z,+1	{ 2₁₀₀ \| 0 }
12	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
13	-y,x+1/2,-z+1/4,+1	{ -4^-₀₀₁ \| 0 1/2 1/4 }
14	y+1/2,-x,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/2 0 1/4 }
15	-y+1/2,-x,z+1/4,+1	{ m₁₁₀ \| 1/2 0 1/4 }
16	y,x+1/2,z+1/4,+1	{ m_1-10 \| 0 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
19	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
20	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
21	-y+1/2,x,-z+1/4,-1	{ -4'^-₀₀₁ \| 1/2 0 1/4 }
22	y,-x+1/2,-z+1/4,-1	{ -4'⁺₀₀₁ \| 0 1/2 1/4 }
23	-y,-x+1/2,z+1/4,-1	{ m'₁₁₀ \| 0 1/2 1/4 }
24	y+1/2,x,z+1/4,-1	{ m'_1-10 \| 1/2 0 1/4 }
(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+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
27	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
28	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
29	-y,x+1/2,-z+3/4,-1	{ -4'^-₀₀₁ \| 0 1/2 3/4 }
30	y+1/2,-x,-z+3/4,-1	{ -4'⁺₀₀₁ \| 1/2 0 3/4 }
31	-y+1/2,-x,z+3/4,-1	{ m'₁₁₀ \| 1/2 0 3/4 }
32	y,x+1/2,z+3/4,-1	{ m'_1-10 \| 0 1/2 3/4 }

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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	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-y,x,-z,+1	-4^-₀₀₁
6	y,-x,-z,+1	-4⁺₀₀₁
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_1-10
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	2'₁₀₀
12	-x,-y,z,-1	2'₀₀₁
13	-y,x,-z,-1	-4'^-₀₀₁
14	y,-x,-z,-1	-4'⁺₀₀₁
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,0,0	0.39(6)	0.0	0.0	0.39

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00000	0.00000	0.20570	16
O1	O	0.75000	0.25000	0.00000	16
Cu2_1	Cu	0.75000	0.25000	0.12500	8
Cu2_2	Cu	0.25000	0.25000	0.12500	8
Se1	Se	0.00000	0.00000	0.08425	16

[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 Cu1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.39000	0.00000	0.00000
2	0.50000	0.00000	0.75000	0,-m_x,0	0.00000	-0.39000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	m_x,0,0	0.39000	0.00000	0.00000
4	0.00000	0.50000	0.25000	0,-m_x,0	0.00000	-0.39000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,0,0	-0.39000	0.00000	0.00000
6	0.50000	0.00000	0.25000	0,m_x,0	0.00000	0.39000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.00000	-m_x,0,0	-0.39000	0.00000	0.00000
8	0.00000	0.50000	0.75000	0,m_x,0	0.00000	0.39000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.20570
2	0.00000	0.00000	0.29430
3	0.50000	0.00000	0.54430
4	0.00000	0.50000	0.95570
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.70570
6	0.50000	0.50000	0.79430
7	0.00000	0.50000	0.04430
8	0.50000	0.00000	0.45570
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.70570
10	0.00000	0.00000	0.79430
11	0.50000	0.00000	0.04430
12	0.00000	0.50000	0.45570
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.20570
14	0.50000	0.50000	0.29430
15	0.00000	0.50000	0.54430
16	0.50000	0.00000	0.95570

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

Atom	x	y	z
1	0.75000	0.25000	0.00000
2	0.25000	0.25000	0.50000
3	0.25000	0.75000	0.75000
4	0.75000	0.75000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
5	0.25000	0.75000	0.50000
6	0.75000	0.75000	0.00000
7	0.75000	0.25000	0.25000
8	0.25000	0.25000	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.75000	0.25000	0.50000
10	0.25000	0.25000	0.00000
11	0.25000	0.75000	0.25000
12	0.75000	0.75000	0.25000
(1/2,1/2,0)' + set click here to show and hide
13	0.25000	0.75000	0.00000
14	0.75000	0.75000	0.50000
15	0.75000	0.25000	0.75000
16	0.25000	0.25000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cu2_1:

Atom	x	y	z
1	0.75000	0.25000	0.12500
2	0.25000	0.25000	0.37500
(1/2,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62500
4	0.75000	0.75000	0.87500
(0,0,1/2)' + set click here to show and hide
5	0.75000	0.25000	0.62500
6	0.25000	0.25000	0.87500
(1/2,1/2,0)' + set click here to show and hide
7	0.25000	0.75000	0.12500
8	0.75000	0.75000	0.37500

Set of atoms in the unit cell related by symmetry with the atom Cu2_2:

Atom	x	y	z
1	0.25000	0.25000	0.12500
2	0.75000	0.25000	0.37500
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.62500
4	0.25000	0.75000	0.87500
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.62500
6	0.75000	0.25000	0.87500
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.12500
8	0.25000	0.75000	0.37500

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.00000	0.00000	0.08425
2	0.00000	0.00000	0.41575
3	0.50000	0.00000	0.66575
4	0.00000	0.50000	0.83425
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.58425
6	0.50000	0.50000	0.91575
7	0.00000	0.50000	0.16575
8	0.50000	0.00000	0.33425
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.58425
10	0.00000	0.00000	0.91575
11	0.50000	0.00000	0.16575
12	0.00000	0.50000	0.33425
(1/2,1/2,0)' + set click here to show and hide
13	0.50000	0.50000	0.08425
14	0.50000	0.50000	0.41575
15	0.00000	0.50000	0.66575
16	0.50000	0.00000	0.83425

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,0,0	0.39(6)	0.0	0.0	0.39

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mP5	4	2	special	primary	1

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

Sr₂CuO₂Cu₂S₂ (#1.456)

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

Sr2CuO2Cu2S2 (#1.456)

Sr₂CuO₂Cu₂S₂ (#1.456)