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

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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Gd	Gd	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
In_1	In	0.00000	0.25000	0.50000	8
In_2	In	0.25000	0.25000	0.00000	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	1.00000
(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	1.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000

Atom	x	y	z
1	0.00000	0.25000	0.50000
2	0.75000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.75000	0.50000
4	0.25000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
5	0.50000	0.25000	0.50000
6	0.25000	0.00000	0.50000
(0,1/2,0)' + set click here to show and hide
7	0.00000	0.75000	0.50000
8	0.75000	0.50000	0.50000

Atom	x	y	z
1	0.25000	0.25000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.75000	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.25000	0.00000
(0,1/2,0)' + set click here to show and hide
4	0.25000	0.75000	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\|
Gd	Gd	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.	1.00

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	1.00000
(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	1.00000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-1.00000

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

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

GdIn₃ (#1.81)

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

GdIn3 (#1.81)

GdIn₃ (#1.81)