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+1/3,y,-z+1/6,+1	{ 2₀₁₀ \| 1/3 0 1/6 }
3	-x+1/2,-y+1/4,-z,+1	{ -1 \| 1/2 1/4 0 }
4	x+5/6,-y+1/4,z+1/6,+1	{ m₀₁₀ \| 5/6 1/4 1/6 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x+1/3,y+1/2,-z+2/3,+1	{ 2₀₁₀ \| 1/3 1/2 2/3 }
7	-x+1/2,-y+3/4,-z+1/2,+1	{ -1 \| 1/2 3/4 1/2 }
8	x+5/6,-y+3/4,z+2/3,+1	{ m₀₁₀ \| 5/6 3/4 2/3 }
(1/3,0,2/3) + set click here to show and hide
9	x+1/3,y,z+2/3,+1	{ 1 \| 1/3 0 2/3 }
10	-x+2/3,y,-z+5/6,+1	{ 2₀₁₀ \| 2/3 0 5/6 }
11	-x+5/6,-y+1/4,-z+2/3,+1	{ -1 \| 5/6 1/4 2/3 }
12	x+1/6,-y+1/4,z+5/6,+1	{ m₀₁₀ \| 1/6 1/4 5/6 }
(1/3,1/2,1/6) + set click here to show and hide
13	x+1/3,y+1/2,z+1/6,+1	{ 1 \| 1/3 1/2 1/6 }
14	-x+2/3,y+1/2,-z+1/3,+1	{ 2₀₁₀ \| 2/3 1/2 1/3 }
15	-x+5/6,-y+3/4,-z+1/6,+1	{ -1 \| 5/6 3/4 1/6 }
16	x+1/6,-y+3/4,z+1/3,+1	{ m₀₁₀ \| 1/6 3/4 1/3 }
(2/3,0,1/3) + set click here to show and hide
17	x+2/3,y,z+1/3,+1	{ 1 \| 2/3 0 1/3 }
18	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
19	-x+1/6,-y+1/4,-z+1/3,+1	{ -1 \| 1/6 1/4 1/3 }
20	x+1/2,-y+1/4,z+1/2,+1	{ m₀₁₀ \| 1/2 1/4 1/2 }
(2/3,1/2,5/6) + set click here to show and hide
21	x+2/3,y+1/2,z+5/6,+1	{ 1 \| 2/3 1/2 5/6 }
22	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
23	-x+1/6,-y+3/4,-z+5/6,+1	{ -1 \| 1/6 3/4 5/6 }
24	x+1/2,-y+3/4,z,+1	{ m₀₁₀ \| 1/2 3/4 0 }
(0,1/2,0)' + set click here to show and hide
25	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
26	-x+1/3,y+1/2,-z+1/6,-1	{ 2'₀₁₀ \| 1/3 1/2 1/6 }
27	-x+1/2,-y+3/4,-z,-1	{ -1' \| 1/2 3/4 0 }
28	x+5/6,-y+3/4,z+1/6,-1	{ m'₀₁₀ \| 5/6 3/4 1/6 }
(0,0,1/2)' + set click here to show and hide
29	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
30	-x+1/3,y,-z+2/3,-1	{ 2'₀₁₀ \| 1/3 0 2/3 }
31	-x+1/2,-y+1/4,-z+1/2,-1	{ -1' \| 1/2 1/4 1/2 }
32	x+5/6,-y+1/4,z+2/3,-1	{ m'₀₁₀ \| 5/6 1/4 2/3 }
(1/3,1/2,2/3)' + set click here to show and hide
33	x+1/3,y+1/2,z+2/3,-1	{ 1' \| 1/3 1/2 2/3 }
34	-x+2/3,y+1/2,-z+5/6,-1	{ 2'₀₁₀ \| 2/3 1/2 5/6 }
35	-x+5/6,-y+3/4,-z+2/3,-1	{ -1' \| 5/6 3/4 2/3 }
36	x+1/6,-y+3/4,z+5/6,-1	{ m'₀₁₀ \| 1/6 3/4 5/6 }
(1/3,0,1/6)' + set click here to show and hide
37	x+1/3,y,z+1/6,-1	{ 1' \| 1/3 0 1/6 }
38	-x+2/3,y,-z+1/3,-1	{ 2'₀₁₀ \| 2/3 0 1/3 }
39	-x+5/6,-y+1/4,-z+1/6,-1	{ -1' \| 5/6 1/4 1/6 }
40	x+1/6,-y+1/4,z+1/3,-1	{ m'₀₁₀ \| 1/6 1/4 1/3 }
(2/3,1/2,1/3)' + set click here to show and hide
41	x+2/3,y+1/2,z+1/3,-1	{ 1' \| 2/3 1/2 1/3 }
42	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
43	-x+1/6,-y+3/4,-z+1/3,-1	{ -1' \| 1/6 3/4 1/3 }
44	x+1/2,-y+3/4,z+1/2,-1	{ m'₀₁₀ \| 1/2 3/4 1/2 }
(2/3,0,5/6)' + set click here to show and hide
45	x+2/3,y,z+5/6,-1	{ 1' \| 2/3 0 5/6 }
46	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
47	-x+1/6,-y+1/4,-z+5/6,-1	{ -1' \| 1/6 1/4 5/6 }
48	x+1/2,-y+1/4,z,-1	{ m'₀₁₀ \| 1/2 1/4 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	24	m_x,0,m_z	0.0	0.0	-4.0(2)	4.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0.00000	0.00000	0.25000	24
O1	O	0.00000	0.00000	0.30300	48

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	0.00000	0.00000	-4.00000
2	0.50000	0.25000	0.00000	m_x,0,m_z	0.00000	0.00000	-4.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	m_x,0,m_z	0.00000	0.00000	-4.00000
4	0.50000	0.75000	0.50000	m_x,0,m_z	0.00000	0.00000	-4.00000
(1/3,0,2/3) + set click here to show and hide
5	0.33333	0.00000	0.66667	m_x,0,m_z	0.00000	0.00000	-4.00000
6	0.83333	0.25000	0.66667	m_x,0,m_z	0.00000	0.00000	-4.00000
(1/3,1/2,1/6) + set click here to show and hide
7	0.33333	0.50000	0.16667	m_x,0,m_z	0.00000	0.00000	-4.00000
8	0.83333	0.75000	0.16667	m_x,0,m_z	0.00000	0.00000	-4.00000
(2/3,0,1/3) + set click here to show and hide
9	0.66667	0.00000	0.33333	m_x,0,m_z	0.00000	0.00000	-4.00000
10	0.16667	0.25000	0.33333	m_x,0,m_z	0.00000	0.00000	-4.00000
(2/3,1/2,5/6) + set click here to show and hide
11	0.66667	0.50000	0.83333	m_x,0,m_z	0.00000	0.00000	-4.00000
12	0.16667	0.75000	0.83333	m_x,0,m_z	0.00000	0.00000	-4.00000
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.00000	-m_x,0,-m_z	0.00000	0.00000	4.00000
14	0.50000	0.75000	0.00000	-m_x,0,-m_z	0.00000	0.00000	4.00000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.50000	-m_x,0,-m_z	0.00000	0.00000	4.00000
16	0.50000	0.25000	0.50000	-m_x,0,-m_z	0.00000	0.00000	4.00000
(1/3,1/2,2/3)' + set click here to show and hide
17	0.33333	0.50000	0.66667	-m_x,0,-m_z	0.00000	0.00000	4.00000
18	0.83333	0.75000	0.66667	-m_x,0,-m_z	0.00000	0.00000	4.00000
(1/3,0,1/6)' + set click here to show and hide
19	0.33333	0.00000	0.16667	-m_x,0,-m_z	0.00000	0.00000	4.00000
20	0.83333	0.25000	0.16667	-m_x,0,-m_z	0.00000	0.00000	4.00000
(2/3,1/2,1/3)' + set click here to show and hide
21	0.66667	0.50000	0.33333	-m_x,0,-m_z	0.00000	0.00000	4.00000
22	0.16667	0.75000	0.33333	-m_x,0,-m_z	0.00000	0.00000	4.00000
(2/3,0,5/6)' + set click here to show and hide
23	0.66667	0.00000	0.83333	-m_x,0,-m_z	0.00000	0.00000	4.00000
24	0.16667	0.25000	0.83333	-m_x,0,-m_z	0.00000	0.00000	4.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.50000	0.25000	0.75000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.50000	0.75000	0.25000
(1/3,0,2/3) + set click here to show and hide
5	0.33333	0.00000	0.91667
6	0.83333	0.25000	0.41667
(1/3,1/2,1/6) + set click here to show and hide
7	0.33333	0.50000	0.41667
8	0.83333	0.75000	0.91667
(2/3,0,1/3) + set click here to show and hide
9	0.66667	0.00000	0.58333
10	0.16667	0.25000	0.08333
(2/3,1/2,5/6) + set click here to show and hide
11	0.66667	0.50000	0.08333
12	0.16667	0.75000	0.58333
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.25000
14	0.50000	0.75000	0.75000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.75000
16	0.50000	0.25000	0.25000
(1/3,1/2,2/3)' + set click here to show and hide
17	0.33333	0.50000	0.91667
18	0.83333	0.75000	0.41667
(1/3,0,1/6)' + set click here to show and hide
19	0.33333	0.00000	0.41667
20	0.83333	0.25000	0.91667
(2/3,1/2,1/3)' + set click here to show and hide
21	0.66667	0.50000	0.58333
22	0.16667	0.75000	0.08333
(2/3,0,5/6)' + set click here to show and hide
23	0.66667	0.00000	0.08333
24	0.16667	0.25000	0.58333

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

Atom	x	y	z
1	0.00000	0.00000	0.30300
2	0.33333	0.00000	0.86367
3	0.50000	0.25000	0.69700
4	0.83333	0.25000	0.46967
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.80300
6	0.33333	0.50000	0.36367
7	0.50000	0.75000	0.19700
8	0.83333	0.75000	0.96967
(1/3,0,2/3) + set click here to show and hide
9	0.33333	0.00000	0.96967
10	0.66667	0.00000	0.53033
11	0.83333	0.25000	0.36367
12	0.16667	0.25000	0.13633
(1/3,1/2,1/6) + set click here to show and hide
13	0.33333	0.50000	0.46967
14	0.66667	0.50000	0.03033
15	0.83333	0.75000	0.86367
16	0.16667	0.75000	0.63633
(2/3,0,1/3) + set click here to show and hide
17	0.66667	0.00000	0.63633
18	0.00000	0.00000	0.19700
19	0.16667	0.25000	0.03033
20	0.50000	0.25000	0.80300
(2/3,1/2,5/6) + set click here to show and hide
21	0.66667	0.50000	0.13633
22	0.00000	0.50000	0.69700
23	0.16667	0.75000	0.53033
24	0.50000	0.75000	0.30300
(0,1/2,0)' + set click here to show and hide
25	0.00000	0.50000	0.30300
26	0.33333	0.50000	0.86367
27	0.50000	0.75000	0.69700
28	0.83333	0.75000	0.46967
(0,0,1/2)' + set click here to show and hide
29	0.00000	0.00000	0.80300
30	0.33333	0.00000	0.36367
31	0.50000	0.25000	0.19700
32	0.83333	0.25000	0.96967
(1/3,1/2,2/3)' + set click here to show and hide
33	0.33333	0.50000	0.96967
34	0.66667	0.50000	0.53033
35	0.83333	0.75000	0.36367
36	0.16667	0.75000	0.13633
(1/3,0,1/6)' + set click here to show and hide
37	0.33333	0.00000	0.46967
38	0.66667	0.00000	0.03033
39	0.83333	0.25000	0.86367
40	0.16667	0.25000	0.63633
(2/3,1/2,1/3)' + set click here to show and hide
41	0.66667	0.50000	0.63633
42	0.00000	0.50000	0.19700
43	0.16667	0.75000	0.03033
44	0.50000	0.75000	0.80300
(2/3,0,5/6)' + set click here to show and hide
45	0.66667	0.00000	0.13633
46	0.00000	0.00000	0.69700
47	0.16667	0.25000	0.53033
48	0.50000	0.25000	0.30300

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	24	m_x,0,m_z	0.0	0.0	-4.0(2)	4.00

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	0.00000	0.00000	-4.00000
2	0.50000	0.25000	0.00000	m_x,0,m_z	0.00000	0.00000	-4.00000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	m_x,0,m_z	0.00000	0.00000	-4.00000
4	0.50000	0.75000	0.50000	m_x,0,m_z	0.00000	0.00000	-4.00000
(1/3,0,2/3) + set click here to show and hide
5	0.33333	0.00000	0.66667	m_x,0,m_z	0.00000	0.00000	-4.00000
6	0.83333	0.25000	0.66667	m_x,0,m_z	0.00000	0.00000	-4.00000
(1/3,1/2,1/6) + set click here to show and hide
7	0.33333	0.50000	0.16667	m_x,0,m_z	0.00000	0.00000	-4.00000
8	0.83333	0.75000	0.16667	m_x,0,m_z	0.00000	0.00000	-4.00000
(2/3,0,1/3) + set click here to show and hide
9	0.66667	0.00000	0.33333	m_x,0,m_z	0.00000	0.00000	-4.00000
10	0.16667	0.25000	0.33333	m_x,0,m_z	0.00000	0.00000	-4.00000
(2/3,1/2,5/6) + set click here to show and hide
11	0.66667	0.50000	0.83333	m_x,0,m_z	0.00000	0.00000	-4.00000
12	0.16667	0.75000	0.83333	m_x,0,m_z	0.00000	0.00000	-4.00000
(0,1/2,0)' + set click here to show and hide
13	0.00000	0.50000	0.00000	-m_x,0,-m_z	0.00000	0.00000	4.00000
14	0.50000	0.75000	0.00000	-m_x,0,-m_z	0.00000	0.00000	4.00000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.50000	-m_x,0,-m_z	0.00000	0.00000	4.00000
16	0.50000	0.25000	0.50000	-m_x,0,-m_z	0.00000	0.00000	4.00000
(1/3,1/2,2/3)' + set click here to show and hide
17	0.33333	0.50000	0.66667	-m_x,0,-m_z	0.00000	0.00000	4.00000
18	0.83333	0.75000	0.66667	-m_x,0,-m_z	0.00000	0.00000	4.00000
(1/3,0,1/6)' + set click here to show and hide
19	0.33333	0.00000	0.16667	-m_x,0,-m_z	0.00000	0.00000	4.00000
20	0.83333	0.25000	0.16667	-m_x,0,-m_z	0.00000	0.00000	4.00000
(2/3,1/2,1/3)' + set click here to show and hide
21	0.66667	0.50000	0.33333	-m_x,0,-m_z	0.00000	0.00000	4.00000
22	0.16667	0.75000	0.33333	-m_x,0,-m_z	0.00000	0.00000	4.00000
(2/3,0,5/6)' + set click here to show and hide
23	0.66667	0.00000	0.83333	-m_x,0,-m_z	0.00000	0.00000	4.00000
24	0.16667	0.25000	0.83333	-m_x,0,-m_z	0.00000	0.00000	4.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mY2	6	2	special	primary	2

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

CuFeO₂ (#1.347)

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

CuFeO2 (#1.347)

CuFeO₂ (#1.347)