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+1/2,-x+1/2,-z,+1	{ 2_1-10 \| 1/2 1/2 0 }
3	y+1/4,x+1/4,-z,+1	{ 2₁₁₀ \| 1/4 1/4 0 }
4	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
5	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
6	y,x,z,+1	{ m_1-10 \| 0 }
7	-y+3/4,-x+3/4,z,+1	{ m₁₁₀ \| 3/4 3/4 0 }
8	x+1/4,y+1/4,-z,+1	{ m₀₀₁ \| 1/4 1/4 0 }
9	-y,x+1/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 0 1/4 1/4 }
10	y+3/4,-x+1/2,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 1/2 1/4 }
11	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
12	-x+3/4,y,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 0 3/4 }
13	y+1/2,-x+1/4,-z+3/4,-1	{ -4'⁺₀₀₁ \| 1/2 1/4 3/4 }
14	-y+3/4,x,-z+3/4,-1	{ -4'^-₀₀₁ \| 3/4 0 3/4 }
15	-x,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 0 1/4 1/4 }
16	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }
(0,1/2,1/2) + set click here to show and hide
17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
19	y+1/4,x+3/4,-z+1/2,+1	{ 2₁₁₀ \| 1/4 3/4 1/2 }
20	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
21	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
22	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
23	-y+3/4,-x+1/4,z+1/2,+1	{ m₁₁₀ \| 3/4 1/4 1/2 }
24	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
25	-y,x+3/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 0 3/4 3/4 }
26	y+3/4,-x,z+3/4,-1	{ 4'^-₀₀₁ \| 3/4 0 3/4 }
27	x+1/2,-y+3/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 3/4 1/4 }
28	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
29	y+1/2,-x+3/4,-z+1/4,-1	{ -4'⁺₀₀₁ \| 1/2 3/4 1/4 }
30	-y+3/4,x+1/2,-z+1/4,-1	{ -4'^-₀₀₁ \| 3/4 1/2 1/4 }
31	-x,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 0 3/4 3/4 }
32	x+3/4,-y,z+3/4,-1	{ m'₀₁₀ \| 3/4 0 3/4 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
35	y+3/4,x+1/4,-z+1/2,+1	{ 2₁₁₀ \| 3/4 1/4 1/2 }
36	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
37	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
38	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
39	-y+1/4,-x+3/4,z+1/2,+1	{ m₁₁₀ \| 1/4 3/4 1/2 }
40	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
41	-y+1/2,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/2 1/4 3/4 }
42	y+1/4,-x+1/2,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 1/2 3/4 }
43	x,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 0 1/4 1/4 }
44	-x+1/4,y,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 0 1/4 }
45	y,-x+1/4,-z+1/4,-1	{ -4'⁺₀₀₁ \| 0 1/4 1/4 }
46	-y+1/4,x,-z+1/4,-1	{ -4'^-₀₀₁ \| 1/4 0 1/4 }
47	-x+1/2,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 1/4 3/4 }
48	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	-y,-x,-z,+1	{ 2_1-10 \| 0 }
51	y+3/4,x+3/4,-z,+1	{ 2₁₁₀ \| 3/4 3/4 0 }
52	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
53	-x,-y,-z,+1	{ -1 \| 0 }
54	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
55	-y+1/4,-x+1/4,z,+1	{ m₁₁₀ \| 1/4 1/4 0 }
56	x+3/4,y+3/4,-z,+1	{ m₀₀₁ \| 3/4 3/4 0 }
57	-y+1/2,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/2 3/4 1/4 }
58	y+1/4,-x,z+1/4,-1	{ 4'^-₀₀₁ \| 1/4 0 1/4 }
59	x,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 0 3/4 3/4 }
60	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
61	y,-x+3/4,-z+3/4,-1	{ -4'⁺₀₀₁ \| 0 3/4 3/4 }
62	-y+1/4,x+1/2,-z+3/4,-1	{ -4'^-₀₀₁ \| 1/4 1/2 3/4 }
63	-x+1/2,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 3/4 1/4 }
64	x+1/4,-y,z+1/4,-1	{ m'₀₁₀ \| 1/4 0 1/4 }

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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	-y,-x,-z,+1	2_1-10
3	y,x,-z,+1	2₁₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	y,x,z,+1	m_1-10
7	-y,-x,z,+1	m₁₁₀
8	x,y,-z,+1	m₀₀₁
9	-y,x,z,-1	4'⁺₀₀₁
10	y,-x,z,-1	4'^-₀₀₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	y,-x,-z,-1	-4'⁺₀₀₁
14	-y,x,-z,-1	-4'^-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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.50000	0.50000	0.50000	16	m_x,-m_x,0	-3.1	3.1	0.0	4.38

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sn1	Sn	0.00000	0.00000	0.00000	16
O1_1	O	0.33750	0.12500	0.12500	32
O1_2	O	0.12500	0.12500	0.33750	16
O2	O	0.37500	0.37500	0.37500	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 Er1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,-m_x,0	-3.10000	3.10000	0.00000
2	0.75000	0.75000	0.50000	-m_x,m_x,0	3.10000	-3.10000	0.00000
3	0.50000	0.75000	0.75000	-m_x,-m_x,0	3.10000	3.10000	0.00000
4	0.25000	0.00000	0.75000	m_x,m_x,0	-3.10000	-3.10000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,-m_x,0	-3.10000	3.10000	0.00000
6	0.75000	0.25000	0.00000	-m_x,m_x,0	3.10000	-3.10000	0.00000
7	0.50000	0.25000	0.25000	-m_x,-m_x,0	3.10000	3.10000	0.00000
8	0.25000	0.50000	0.25000	m_x,m_x,0	-3.10000	-3.10000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,-m_x,0	-3.10000	3.10000	0.00000
10	0.25000	0.75000	0.00000	-m_x,m_x,0	3.10000	-3.10000	0.00000
11	0.00000	0.75000	0.25000	-m_x,-m_x,0	3.10000	3.10000	0.00000
12	0.75000	0.00000	0.25000	m_x,m_x,0	-3.10000	-3.10000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,-m_x,0	-3.10000	3.10000	0.00000
14	0.25000	0.25000	0.50000	-m_x,m_x,0	3.10000	-3.10000	0.00000
15	0.00000	0.25000	0.75000	-m_x,-m_x,0	3.10000	3.10000	0.00000
16	0.75000	0.50000	0.75000	m_x,m_x,0	-3.10000	-3.10000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sn1:

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

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

Atom	x	y	z
1	0.33750	0.12500	0.12500
2	0.37500	0.16250	0.87500
3	0.37500	0.58750	0.87500
4	0.41250	0.62500	0.12500
5	0.16250	0.37500	0.87500
6	0.12500	0.33750	0.12500
7	0.62500	0.41250	0.12500
8	0.58750	0.37500	0.87500
(0,1/2,1/2) + set click here to show and hide
9	0.33750	0.62500	0.62500
10	0.37500	0.66250	0.37500
11	0.37500	0.08750	0.37500
12	0.41250	0.12500	0.62500
13	0.16250	0.87500	0.37500
14	0.12500	0.83750	0.62500
15	0.62500	0.91250	0.62500
16	0.58750	0.87500	0.37500
(1/2,0,1/2) + set click here to show and hide
17	0.83750	0.12500	0.62500
18	0.87500	0.16250	0.37500
19	0.87500	0.58750	0.37500
20	0.91250	0.62500	0.62500
21	0.66250	0.37500	0.37500
22	0.62500	0.33750	0.62500
23	0.12500	0.41250	0.62500
24	0.08750	0.37500	0.37500
(1/2,1/2,0) + set click here to show and hide
25	0.83750	0.62500	0.12500
26	0.87500	0.66250	0.87500
27	0.87500	0.08750	0.87500
28	0.91250	0.12500	0.12500
29	0.66250	0.87500	0.87500
30	0.62500	0.83750	0.12500
31	0.12500	0.91250	0.12500
32	0.08750	0.87500	0.87500

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

Atom	x	y	z
1	0.12500	0.12500	0.33750
2	0.37500	0.37500	0.66250
3	0.87500	0.37500	0.58750
4	0.62500	0.12500	0.41250
(0,1/2,1/2) + set click here to show and hide
5	0.12500	0.62500	0.83750
6	0.37500	0.87500	0.16250
7	0.87500	0.87500	0.08750
8	0.62500	0.62500	0.91250
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.83750
10	0.87500	0.37500	0.16250
11	0.37500	0.37500	0.08750
12	0.12500	0.12500	0.91250
(1/2,1/2,0) + set click here to show and hide
13	0.62500	0.62500	0.33750
14	0.87500	0.87500	0.66250
15	0.37500	0.87500	0.58750
16	0.12500	0.62500	0.41250

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

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.50000	0.50000	0.50000	16	m_x,-m_x,0	-3.1	3.1	0.0	4.38

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5+	3	3	special	primary	1

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

Er₂Sn₂O₇ (#0.237)

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

Er2Sn2O7 (#0.237)

Er₂Sn₂O₇ (#0.237)