MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

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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	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
5	y+1/2,x,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
8	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
11	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
12	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
13	-y+1/2,-x,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
14	x,y,-z,+1	{ m₀₀₁ \| 0 }
15	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
16	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 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	{ 4⁺₀₀₁ \| 1/2 1/2 0 }
19	y+1/2,-x+1/2,z,+1	{ 4^-₀₀₁ \| 1/2 1/2 0 }
20	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
21	y,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 0 1/2 1/2 }
22	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
23	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
24	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
25	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
26	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
27	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
28	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
29	-y,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 0 1/2 1/2 }
30	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
31	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
32	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
33	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
34	-y+1/2,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 0 1/2 }
35	y+1/2,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 0 1/2 }
36	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
37	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
38	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
39	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
40	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
41	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
42	y+1/2,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 0 1/2 }
43	-y+1/2,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 0 1/2 }
44	y,x,z,-1	{ m'_1-10 \| 0 }
45	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
46	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
47	-x,y,z,-1	{ m'₁₀₀ \| 0 }
48	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(0,1/2,1/2)' + set click here to show and hide
49	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
50	-y,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/2 }
51	y,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 0 1/2 1/2 }
52	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
53	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
54	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
55	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
56	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
57	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
58	y,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 1/2 1/2 }
59	-y,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 0 1/2 1/2 }
60	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
61	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
62	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
63	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
64	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

a_s	b_s	c_s
1/2	1/2	0	a
-1/2	1/2	0	b
0	0	1	c

origin shift
0	a
0	b
0	c

[Hide]

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	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	-y,-x,-z,+1	2_1-10
5	y,x,-z,+1	2₁₁₀
6	-x,-y,z,+1	2₀₀₁
7	x,-y,-z,+1	2₁₀₀
8	-x,y,-z,+1	2₀₁₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	y,x,z,+1	m_1-10
13	-y,-x,z,+1	m₁₁₀
14	x,y,-z,+1	m₀₀₁
15	-x,y,z,+1	m₁₀₀
16	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	-y,-x,-z,-1	2'_1-10
21	y,x,-z,-1	2'₁₁₀
22	-x,-y,z,-1	2'₀₀₁
23	x,-y,-z,-1	2'₁₀₀
24	-x,y,-z,-1	2'₀₁₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	y,x,z,-1	m'_1-10
29	-y,-x,z,-1	m'₁₁₀
30	x,y,-z,-1	m'₀₀₁
31	-x,y,z,-1	m'₁₀₀
32	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\|
U1	U	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.7	1.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.50000	0.50000	0.50000	4

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	1.70000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	1.70000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.70000
(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	-1.70000

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

[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\|
U1	U	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.7	1.70

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	1.70000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	1.70000
(1/2,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.70000
(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	-1.70000

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX3+	1	3	primary	1

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

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