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	-y,-x,-z,+1	{ 2_1-10 \| 0 }
3	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
4	y,x+1/2,-z,+1	{ 2₁₁₀ \| 0 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y,x,z,+1	{ m_1-10 \| 0 }
7	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
8	-y,-x+1/2,z,+1	{ m₁₁₀ \| 0 1/2 0 }
(1/4,3/4,1/2) + set click here to show and hide
9	x+1/4,y+3/4,z+1/2,+1	{ 1 \| 1/4 3/4 1/2 }
10	-y+1/4,-x+3/4,-z+1/2,+1	{ 2_1-10 \| 1/4 3/4 1/2 }
11	-x+1/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 1/4 1/2 }
12	y+1/4,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 1/4 1/4 1/2 }
13	-x+1/4,-y+3/4,-z+1/2,+1	{ -1 \| 1/4 3/4 1/2 }
14	y+1/4,x+3/4,z+1/2,+1	{ m_1-10 \| 1/4 3/4 1/2 }
15	x+1/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 1/4 1/2 }
16	-y+1/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 1/4 1/4 1/2 }
(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	-y+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
19	-x+1/2,-y,z,+1	{ 2₀₀₁ \| 1/2 0 0 }
20	y+1/2,x,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
21	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
22	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
23	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
24	-y+1/2,-x,z,+1	{ m₁₁₀ \| 1/2 0 0 }
(3/4,1/4,1/2) + set click here to show and hide
25	x+3/4,y+1/4,z+1/2,+1	{ 1 \| 3/4 1/4 1/2 }
26	-y+3/4,-x+1/4,-z+1/2,+1	{ 2_1-10 \| 3/4 1/4 1/2 }
27	-x+3/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 3/4 1/2 }
28	y+3/4,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 3/4 3/4 1/2 }
29	-x+3/4,-y+1/4,-z+1/2,+1	{ -1 \| 3/4 1/4 1/2 }
30	y+3/4,x+1/4,z+1/2,+1	{ m_1-10 \| 3/4 1/4 1/2 }
31	x+3/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 3/4 1/2 }
32	-y+3/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 3/4 3/4 1/2 }
(0,1/2,0)' + set click here to show and hide
33	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
34	-y,-x+1/2,-z,-1	{ 2'_1-10 \| 0 1/2 0 }
35	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
36	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
37	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
38	y,x+1/2,z,-1	{ m'_1-10 \| 0 1/2 0 }
39	x,y,-z,-1	{ m'₀₀₁ \| 0 }
40	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
(1/4,1/4,1/2)' + set click here to show and hide
41	x+1/4,y+1/4,z+1/2,-1	{ 1' \| 1/4 1/4 1/2 }
42	-y+1/4,-x+1/4,-z+1/2,-1	{ 2'_1-10 \| 1/4 1/4 1/2 }
43	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
44	y+1/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 3/4 1/2 }
45	-x+1/4,-y+1/4,-z+1/2,-1	{ -1' \| 1/4 1/4 1/2 }
46	y+1/4,x+1/4,z+1/2,-1	{ m'_1-10 \| 1/4 1/4 1/2 }
47	x+1/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 3/4 1/2 }
48	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
(1/2,0,0)' + set click here to show and hide
49	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
50	-y+1/2,-x,-z,-1	{ 2'_1-10 \| 1/2 0 0 }
51	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
52	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
53	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
54	y+1/2,x,z,-1	{ m'_1-10 \| 1/2 0 0 }
55	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
56	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
(3/4,3/4,1/2)' + set click here to show and hide
57	x+3/4,y+3/4,z+1/2,-1	{ 1' \| 3/4 3/4 1/2 }
58	-y+3/4,-x+3/4,-z+1/2,-1	{ 2'_1-10 \| 3/4 3/4 1/2 }
59	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
60	y+3/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/4 1/2 }
61	-x+3/4,-y+3/4,-z+1/2,-1	{ -1' \| 3/4 3/4 1/2 }
62	y+3/4,x+3/4,z+1/2,-1	{ m'_1-10 \| 3/4 3/4 1/2 }
63	x+3/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 1/4 1/2 }
64	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 1/4 1/2 }

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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	-y,-x,-z,+1	2_1-10
3	-x,-y,z,+1	2₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-x,-y,-z,+1	-1
6	y,x,z,+1	m_1-10
7	x,y,-z,+1	m₀₀₁
8	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,-x,-z,-1	2'_1-10
11	-x,-y,z,-1	2'₀₀₁
12	y,x,-z,-1	2'₁₁₀
13	-x,-y,-z,-1	-1'
14	y,x,z,-1	m'_1-10
15	x,y,-z,-1	m'₀₀₁
16	-y,-x,z,-1	m'₁₁₀

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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,-m_x,0	-0.27	0.27	0.0	0.38

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Sm1	Sm	0.00000	0.35100	16
O1	O	0.25000	0.00000	16
O2	O	0.25000	0.25000	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,-m_x,0	-0.27000	0.27000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000	m_x,-m_x,0	-0.27000	0.27000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.00000	m_x,-m_x,0	-0.27000	0.27000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
4	0.75000	0.25000	0.50000	m_x,-m_x,0	-0.27000	0.27000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000	-m_x,m_x,0	0.27000	-0.27000	0.00000
(1/4,1/4,1/2)' + set click here to show and hide
6	0.25000	0.25000	0.50000	-m_x,m_x,0	0.27000	-0.27000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.00000	-m_x,m_x,0	0.27000	-0.27000	0.00000
(3/4,3/4,1/2)' + set click here to show and hide
8	0.75000	0.75000	0.50000	-m_x,m_x,0	0.27000	-0.27000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sm1:

Atom	x	y	z
1	0.00000	0.00000	0.35100
2	0.00000	0.00000	0.64900
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.85100
4	0.25000	0.75000	0.14900
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.35100
6	0.50000	0.50000	0.64900
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.85100
8	0.75000	0.25000	0.14900
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.35100
10	0.00000	0.50000	0.64900
(1/4,1/4,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.85100
12	0.25000	0.25000	0.14900
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.35100
14	0.50000	0.00000	0.64900
(3/4,3/4,1/2)' + set click here to show and hide
15	0.75000	0.75000	0.85100
16	0.75000	0.75000	0.14900

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

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

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

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

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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,-m_x,0	-0.27	0.27	0.0	0.38

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX3+	1	2	primary	1

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

Sm₂CuO₄ (#1.107)

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

Sm2CuO4 (#1.107)

Sm₂CuO₄ (#1.107)