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	{ 2₁₀₀ \| 0 }
3	-x,y,-z,+1	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
6	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
7	-y,z,-x,+1	{ 3^-_1-1-1 \| 0 }
8	-z,-x,y,+1	{ 3⁺_1-1-1 \| 0 }
9	-y,-z,x,+1	{ 3^-_-11-1 \| 0 }
10	z,-x,-y,+1	{ 3⁺_-11-1 \| 0 }
11	y,-z,-x,+1	{ 3^-_-1-11 \| 0 }
12	-z,x,-y,+1	{ 3⁺_-1-11 \| 0 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	-x,y,z,+1	{ m₁₀₀ \| 0 }
15	x,-y,z,+1	{ m₀₁₀ \| 0 }
16	x,y,-z,+1	{ m₀₀₁ \| 0 }
17	-z,-x,-y,+1	{ -3⁺₁₁₁ \| 0 }
18	-y,-z,-x,+1	{ -3^-₁₁₁ \| 0 }
19	y,-z,x,+1	{ -3^-_1-1-1 \| 0 }
20	z,x,-y,+1	{ -3⁺_1-1-1 \| 0 }
21	y,z,-x,+1	{ -3^-_-11-1 \| 0 }
22	-z,x,y,+1	{ -3⁺_-11-1 \| 0 }
23	-y,z,x,+1	{ -3^-_-1-11 \| 0 }
24	z,-x,y,+1	{ -3⁺_-1-11 \| 0 }
25	x,-z,y,-1	{ 4'⁺₁₀₀ \| 0 }
26	x,z,-y,-1	{ 4'^-₁₀₀ \| 0 }
27	z,y,-x,-1	{ 4'⁺₀₁₀ \| 0 }
28	-z,y,x,-1	{ 4'^-₀₁₀ \| 0 }
29	-y,x,z,-1	{ 4'⁺₀₀₁ \| 0 }
30	y,-x,z,-1	{ 4'^-₀₀₁ \| 0 }
31	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
32	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
33	-x,z,y,-1	{ 2'₀₁₁ \| 0 }
34	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
35	z,-y,x,-1	{ 2'₁₀₁ \| 0 }
36	-z,-y,-x,-1	{ 2'_-101 \| 0 }
37	-x,z,-y,-1	{ -4'⁺₁₀₀ \| 0 }
38	-x,-z,y,-1	{ -4'^-₁₀₀ \| 0 }
39	-z,-y,x,-1	{ -4'⁺₀₁₀ \| 0 }
40	z,-y,-x,-1	{ -4'^-₀₁₀ \| 0 }
41	y,-x,-z,-1	{ -4'⁺₀₀₁ \| 0 }
42	-y,x,-z,-1	{ -4'^-₀₀₁ \| 0 }
43	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
44	y,x,z,-1	{ m'_1-10 \| 0 }
45	x,-z,-y,-1	{ m'₀₁₁ \| 0 }
46	x,z,y,-1	{ m'_01-1 \| 0 }
47	-z,y,-x,-1	{ m'₁₀₁ \| 0 }
48	z,y,x,-1	{ m'_-101 \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
49	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
50	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
51	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
52	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
53	z+1/2,x+1/2,y+1/2,+1	{ 3⁺₁₁₁ \| 1/2 1/2 1/2 }
54	y+1/2,z+1/2,x+1/2,+1	{ 3^-₁₁₁ \| 1/2 1/2 1/2 }
55	-y+1/2,z+1/2,-x+1/2,+1	{ 3^-_1-1-1 \| 1/2 1/2 1/2 }
56	-z+1/2,-x+1/2,y+1/2,+1	{ 3⁺_1-1-1 \| 1/2 1/2 1/2 }
57	-y+1/2,-z+1/2,x+1/2,+1	{ 3^-_-11-1 \| 1/2 1/2 1/2 }
58	z+1/2,-x+1/2,-y+1/2,+1	{ 3⁺_-11-1 \| 1/2 1/2 1/2 }
59	y+1/2,-z+1/2,-x+1/2,+1	{ 3^-_-1-11 \| 1/2 1/2 1/2 }
60	-z+1/2,x+1/2,-y+1/2,+1	{ 3⁺_-1-11 \| 1/2 1/2 1/2 }
61	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
62	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
63	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
64	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
65	-z+1/2,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 1/2 1/2 }
66	-y+1/2,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 1/2 1/2 }
67	y+1/2,-z+1/2,x+1/2,+1	{ -3^-_1-1-1 \| 1/2 1/2 1/2 }
68	z+1/2,x+1/2,-y+1/2,+1	{ -3⁺_1-1-1 \| 1/2 1/2 1/2 }
69	y+1/2,z+1/2,-x+1/2,+1	{ -3^-_-11-1 \| 1/2 1/2 1/2 }
70	-z+1/2,x+1/2,y+1/2,+1	{ -3⁺_-11-1 \| 1/2 1/2 1/2 }
71	-y+1/2,z+1/2,x+1/2,+1	{ -3^-_-1-11 \| 1/2 1/2 1/2 }
72	z+1/2,-x+1/2,y+1/2,+1	{ -3⁺_-1-11 \| 1/2 1/2 1/2 }
73	x+1/2,-z+1/2,y+1/2,-1	{ 4'⁺₁₀₀ \| 1/2 1/2 1/2 }
74	x+1/2,z+1/2,-y+1/2,-1	{ 4'^-₁₀₀ \| 1/2 1/2 1/2 }
75	z+1/2,y+1/2,-x+1/2,-1	{ 4'⁺₀₁₀ \| 1/2 1/2 1/2 }
76	-z+1/2,y+1/2,x+1/2,-1	{ 4'^-₀₁₀ \| 1/2 1/2 1/2 }
77	-y+1/2,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 1/2 1/2 }
78	y+1/2,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 1/2 1/2 }
79	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
80	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
81	-x+1/2,z+1/2,y+1/2,-1	{ 2'₀₁₁ \| 1/2 1/2 1/2 }
82	-x+1/2,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 1/2 1/2 1/2 }
83	z+1/2,-y+1/2,x+1/2,-1	{ 2'₁₀₁ \| 1/2 1/2 1/2 }
84	-z+1/2,-y+1/2,-x+1/2,-1	{ 2'_-101 \| 1/2 1/2 1/2 }
85	-x+1/2,z+1/2,-y+1/2,-1	{ -4'⁺₁₀₀ \| 1/2 1/2 1/2 }
86	-x+1/2,-z+1/2,y+1/2,-1	{ -4'^-₁₀₀ \| 1/2 1/2 1/2 }
87	-z+1/2,-y+1/2,x+1/2,-1	{ -4'⁺₀₁₀ \| 1/2 1/2 1/2 }
88	z+1/2,-y+1/2,-x+1/2,-1	{ -4'^-₀₁₀ \| 1/2 1/2 1/2 }
89	y+1/2,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 1/2 }
90	-y+1/2,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 1/2 1/2 }
91	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
92	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }
93	x+1/2,-z+1/2,-y+1/2,-1	{ m'₀₁₁ \| 1/2 1/2 1/2 }
94	x+1/2,z+1/2,y+1/2,-1	{ m'_01-1 \| 1/2 1/2 1/2 }
95	-z+1/2,y+1/2,-x+1/2,-1	{ m'₁₀₁ \| 1/2 1/2 1/2 }
96	z+1/2,y+1/2,x+1/2,-1	{ m'_-101 \| 1/2 1/2 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	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	z,x,y,+1	3⁺₁₁₁
6	y,z,x,+1	3^-₁₁₁
7	-y,z,-x,+1	3^-_1-1-1
8	-z,-x,y,+1	3⁺_1-1-1
9	-y,-z,x,+1	3^-_-11-1
10	z,-x,-y,+1	3⁺_-11-1
11	y,-z,-x,+1	3^-_-1-11
12	-z,x,-y,+1	3⁺_-1-11
13	-x,-y,-z,+1	-1
14	-x,y,z,+1	m₁₀₀
15	x,-y,z,+1	m₀₁₀
16	x,y,-z,+1	m₀₀₁
17	-z,-x,-y,+1	-3⁺₁₁₁
18	-y,-z,-x,+1	-3^-₁₁₁
19	y,-z,x,+1	-3^-_1-1-1
20	z,x,-y,+1	-3⁺_1-1-1
21	y,z,-x,+1	-3^-_-11-1
22	-z,x,y,+1	-3⁺_-11-1
23	-y,z,x,+1	-3^-_-1-11
24	z,-x,y,+1	-3⁺_-1-11
25	x,-z,y,-1	4'⁺₁₀₀
26	x,z,-y,-1	4'^-₁₀₀
27	z,y,-x,-1	4'⁺₀₁₀
28	-z,y,x,-1	4'^-₀₁₀
29	-y,x,z,-1	4'⁺₀₀₁
30	y,-x,z,-1	4'^-₀₀₁
31	y,x,-z,-1	2'₁₁₀
32	-y,-x,-z,-1	2'_1-10
33	-x,z,y,-1	2'₀₁₁
34	-x,-z,-y,-1	2'_01-1
35	z,-y,x,-1	2'₁₀₁
36	-z,-y,-x,-1	2'_-101
37	-x,z,-y,-1	-4'⁺₁₀₀
38	-x,-z,y,-1	-4'^-₁₀₀
39	-z,-y,x,-1	-4'⁺₀₁₀
40	z,-y,-x,-1	-4'^-₀₁₀
41	y,-x,-z,-1	-4'⁺₀₀₁
42	-y,x,-z,-1	-4'^-₀₀₁
43	-y,-x,z,-1	m'₁₁₀
44	y,x,z,-1	m'_1-10
45	x,-z,-y,-1	m'₀₁₁
46	x,z,y,-1	m'_01-1
47	-z,y,-x,-1	m'₁₀₁
48	z,y,x,-1	m'_-101

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy1	Dy	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	4.98	4.98	4.98	8.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.00000	0.00000	0.00000	2
Cu1_2	Cu	0.00000	0.00000	0.50000	6

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_x	4.98000	4.98000	4.98000
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_x	4.98000	-4.98000	-4.98000
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_x	-4.98000	4.98000	-4.98000
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_x	-4.98000	-4.98000	4.98000
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.75000	m_x,m_x,m_x	4.98000	4.98000	4.98000
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_x	4.98000	-4.98000	-4.98000
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_x	-4.98000	4.98000	-4.98000
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_x	-4.98000	-4.98000	4.98000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000

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

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Dy1	Dy	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	4.98	4.98	4.98	8.63

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_x	4.98000	4.98000	4.98000
2	0.25000	0.75000	0.75000	m_x,-m_x,-m_x	4.98000	-4.98000	-4.98000
3	0.75000	0.25000	0.75000	-m_x,m_x,-m_x	-4.98000	4.98000	-4.98000
4	0.75000	0.75000	0.25000	-m_x,-m_x,m_x	-4.98000	-4.98000	4.98000
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.75000	0.75000	m_x,m_x,m_x	4.98000	4.98000	4.98000
6	0.75000	0.25000	0.25000	m_x,-m_x,-m_x	4.98000	-4.98000	-4.98000
7	0.25000	0.75000	0.25000	-m_x,m_x,-m_x	-4.98000	4.98000	-4.98000
8	0.25000	0.25000	0.75000	-m_x,-m_x,m_x	-4.98000	-4.98000	4.98000

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM2+	3	1	special-2	primary	1

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

DyCu (#3.6)