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

[Hide]

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	y,-x,-z,+1	-4⁺₀₀₁
6	-y,x,-z,+1	-4^-₀₀₁
7	-x,y,z,+1	m₁₀₀
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-y,-x,-z,-1	2'_1-10
11	y,x,-z,-1	2'₁₁₀
12	-x,-y,z,-1	2'₀₀₁
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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu2_1	Cu	0.00000	0.00000	0.25000	32	m_x,0,0	-0.46(2)	0.0	0.0	0.46
Cu2_2	Cu	0.25000	0.00000	0.00000	32	0,m_y,m_z	0.0	-0.46	0.0	0.46

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.00000	0.00000	0.00000	32
Cu1_2	Cu	0.25000	0.00000	0.25000	32
O1_1	O	0.00000	0.12500	0.0581	16
O1_2	O	0.00000	0.37500	0.1831	16
O1_3	O	0.25000	0.37500	0.0669	16
O1_4	O	0.25000	0.12500	0.4331	16
O2_1	O	0.00000	0.12500	0.1875	8
O2_2	O	0.00000	0.37500	0.3125	16
O2_3	O	0.25000	0.37500	0.4375	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 Cu2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
2	0.12500	0.12500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
3	0.87500	0.12500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
4	0.00000	0.25000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
6	0.12500	0.62500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
7	0.87500	0.62500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
8	0.00000	0.75000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
10	0.62500	0.12500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
11	0.37500	0.12500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
12	0.50000	0.25000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
14	0.62500	0.62500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
15	0.37500	0.62500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
16	0.50000	0.75000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
18	0.12500	0.12500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
19	0.87500	0.12500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
20	0.00000	0.25000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.00000	0.50000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
22	0.12500	0.62500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
23	0.87500	0.62500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
24	0.00000	0.75000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
26	0.62500	0.12500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
27	0.37500	0.12500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
28	0.50000	0.25000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.50000	0.50000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
30	0.62500	0.62500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
31	0.37500	0.62500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
32	0.50000	0.75000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	0,m_y,m_z	0.00000	-0.46000	0.00000
2	0.12500	0.87500	0.37500	-m_y,0,-m_z	0.46000	0.00000	0.00000
3	0.87500	0.37500	0.37500	m_y,0,-m_z	-0.46000	0.00000	0.00000
4	0.75000	0.25000	0.00000	0,-m_y,m_z	0.00000	0.46000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.25000	0.50000	0.50000	0,m_y,m_z	0.00000	-0.46000	0.00000
6	0.12500	0.37500	0.87500	-m_y,0,-m_z	0.46000	0.00000	0.00000
7	0.87500	0.87500	0.87500	m_y,0,-m_z	-0.46000	0.00000	0.00000
8	0.75000	0.75000	0.50000	0,-m_y,m_z	0.00000	0.46000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.75000	0.00000	0.50000	0,m_y,m_z	0.00000	-0.46000	0.00000
10	0.62500	0.87500	0.87500	-m_y,0,-m_z	0.46000	0.00000	0.00000
11	0.37500	0.37500	0.87500	m_y,0,-m_z	-0.46000	0.00000	0.00000
12	0.25000	0.25000	0.50000	0,-m_y,m_z	0.00000	0.46000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.75000	0.50000	0.00000	0,m_y,m_z	0.00000	-0.46000	0.00000
14	0.62500	0.37500	0.37500	-m_y,0,-m_z	0.46000	0.00000	0.00000
15	0.37500	0.87500	0.37500	m_y,0,-m_z	-0.46000	0.00000	0.00000
16	0.25000	0.75000	0.00000	0,-m_y,m_z	0.00000	0.46000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.25000	0.00000	0.50000	0,-m_y,-m_z	0.00000	0.46000	0.00000
18	0.12500	0.87500	0.87500	m_y,0,m_z	-0.46000	0.00000	0.00000
19	0.87500	0.37500	0.87500	-m_y,0,m_z	0.46000	0.00000	0.00000
20	0.75000	0.25000	0.50000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.25000	0.50000	0.00000	0,-m_y,-m_z	0.00000	0.46000	0.00000
22	0.12500	0.37500	0.37500	m_y,0,m_z	-0.46000	0.00000	0.00000
23	0.87500	0.87500	0.37500	-m_y,0,m_z	0.46000	0.00000	0.00000
24	0.75000	0.75000	0.00000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.75000	0.00000	0.00000	0,-m_y,-m_z	0.00000	0.46000	0.00000
26	0.62500	0.87500	0.37500	m_y,0,m_z	-0.46000	0.00000	0.00000
27	0.37500	0.37500	0.37500	-m_y,0,m_z	0.46000	0.00000	0.00000
28	0.25000	0.25000	0.00000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.75000	0.50000	0.50000	0,-m_y,-m_z	0.00000	0.46000	0.00000
30	0.62500	0.37500	0.87500	m_y,0,m_z	-0.46000	0.00000	0.00000
31	0.37500	0.87500	0.87500	-m_y,0,m_z	0.46000	0.00000	0.00000
32	0.25000	0.75000	0.50000	0,m_y,-m_z	0.00000	-0.46000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.12500	0.12500	0.37500
3	0.87500	0.12500	0.37500
4	0.00000	0.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000
6	0.12500	0.62500	0.87500
7	0.87500	0.62500	0.87500
8	0.00000	0.75000	0.50000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000
10	0.62500	0.12500	0.87500
11	0.37500	0.12500	0.87500
12	0.50000	0.25000	0.50000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000
14	0.62500	0.62500	0.37500
15	0.37500	0.62500	0.37500
16	0.50000	0.75000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.50000
18	0.12500	0.12500	0.87500
19	0.87500	0.12500	0.87500
20	0.00000	0.25000	0.50000
(0,1/2,0)' + set click here to show and hide
21	0.00000	0.50000	0.00000
22	0.12500	0.62500	0.37500
23	0.87500	0.62500	0.37500
24	0.00000	0.75000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.00000
26	0.62500	0.12500	0.37500
27	0.37500	0.12500	0.37500
28	0.50000	0.25000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.50000	0.50000	0.50000
30	0.62500	0.62500	0.87500
31	0.37500	0.62500	0.87500
32	0.50000	0.75000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.25000	0.00000	0.25000
2	0.12500	0.87500	0.12500
3	0.87500	0.37500	0.12500
4	0.75000	0.25000	0.25000
(0,1/2,1/2) + set click here to show and hide
5	0.25000	0.50000	0.75000
6	0.12500	0.37500	0.62500
7	0.87500	0.87500	0.62500
8	0.75000	0.75000	0.75000
(1/2,0,1/2) + set click here to show and hide
9	0.75000	0.00000	0.75000
10	0.62500	0.87500	0.62500
11	0.37500	0.37500	0.62500
12	0.25000	0.25000	0.75000
(1/2,1/2,0) + set click here to show and hide
13	0.75000	0.50000	0.25000
14	0.62500	0.37500	0.12500
15	0.37500	0.87500	0.12500
16	0.25000	0.75000	0.25000
(0,0,1/2)' + set click here to show and hide
17	0.25000	0.00000	0.75000
18	0.12500	0.87500	0.62500
19	0.87500	0.37500	0.62500
20	0.75000	0.25000	0.75000
(0,1/2,0)' + set click here to show and hide
21	0.25000	0.50000	0.25000
22	0.12500	0.37500	0.12500
23	0.87500	0.87500	0.12500
24	0.75000	0.75000	0.25000
(1/2,0,0)' + set click here to show and hide
25	0.75000	0.00000	0.25000
26	0.62500	0.87500	0.12500
27	0.37500	0.37500	0.12500
28	0.25000	0.25000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.75000	0.50000	0.75000
30	0.62500	0.37500	0.62500
31	0.37500	0.87500	0.62500
32	0.25000	0.75000	0.75000

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

Atom	x	y	z
1	0.00000	0.12500	0.05810
2	0.00000	0.12500	0.31690
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3	0.00000	0.62500	0.55810
4	0.00000	0.62500	0.81690
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5	0.50000	0.12500	0.55810
6	0.50000	0.12500	0.81690
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.62500	0.05810
8	0.50000	0.62500	0.31690
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.12500	0.55810
10	0.00000	0.12500	0.81690
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.62500	0.05810
12	0.00000	0.62500	0.31690
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.12500	0.05810
14	0.50000	0.12500	0.31690
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.62500	0.55810
16	0.50000	0.62500	0.81690

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

Atom	x	y	z
1	0.00000	0.37500	0.18310
2	0.75000	0.12500	0.19190
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.87500	0.68310
4	0.75000	0.62500	0.69190
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.37500	0.68310
6	0.25000	0.12500	0.69190
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.87500	0.18310
8	0.25000	0.62500	0.19190
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.37500	0.68310
10	0.75000	0.12500	0.69190
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.87500	0.18310
12	0.75000	0.62500	0.19190
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.37500	0.18310
14	0.25000	0.12500	0.19190
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.87500	0.68310
16	0.25000	0.62500	0.69190

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.25000	0.37500	0.06690
2	0.75000	0.87500	0.30810
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.87500	0.56690
4	0.75000	0.37500	0.80810
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.37500	0.56690
6	0.25000	0.87500	0.80810
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.87500	0.06690
8	0.25000	0.37500	0.30810
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.37500	0.56690
10	0.75000	0.87500	0.80810
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.87500	0.06690
12	0.75000	0.37500	0.30810
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.37500	0.06690
14	0.25000	0.87500	0.30810
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.87500	0.56690
16	0.25000	0.37500	0.80810

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.25000	0.12500	0.43310
2	0.00000	0.87500	0.94190
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.62500	0.93310
4	0.00000	0.37500	0.44190
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.12500	0.93310
6	0.50000	0.87500	0.44190
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.62500	0.43310
8	0.50000	0.37500	0.94190
(0,0,1/2)' + set click here to show and hide
9	0.25000	0.12500	0.93310
10	0.00000	0.87500	0.44190
(0,1/2,0)' + set click here to show and hide
11	0.25000	0.62500	0.43310
12	0.00000	0.37500	0.94190
(1/2,0,0)' + set click here to show and hide
13	0.75000	0.12500	0.43310
14	0.50000	0.87500	0.94190
(1/2,1/2,1/2)' + set click here to show and hide
15	0.75000	0.62500	0.93310
16	0.50000	0.37500	0.44190

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.00000	0.12500	0.18750
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.62500	0.68750
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.12500	0.68750
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.62500	0.18750
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.12500	0.68750
(0,1/2,0)' + set click here to show and hide
6	0.00000	0.62500	0.18750
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.12500	0.18750
(1/2,1/2,1/2)' + set click here to show and hide
8	0.50000	0.62500	0.68750

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.00000	0.37500	0.31250
2	0.75000	0.12500	0.06250
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.87500	0.81250
4	0.75000	0.62500	0.56250
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.37500	0.81250
6	0.25000	0.12500	0.56250
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.87500	0.31250
8	0.25000	0.62500	0.06250
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.37500	0.81250
10	0.75000	0.12500	0.56250
(0,1/2,0)' + set click here to show and hide
11	0.00000	0.87500	0.31250
12	0.75000	0.62500	0.06250
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.37500	0.31250
14	0.25000	0.12500	0.06250
(1/2,1/2,1/2)' + set click here to show and hide
15	0.50000	0.87500	0.81250
16	0.25000	0.62500	0.56250

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.25000	0.37500	0.43750
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.87500	0.93750
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.37500	0.93750
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.87500	0.43750
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.37500	0.93750
(0,1/2,0)' + set click here to show and hide
6	0.25000	0.87500	0.43750
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.37500	0.43750
(1/2,1/2,1/2)' + set click here to show and hide
8	0.75000	0.87500	0.93750

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu2_1	Cu	0.00000	0.00000	0.25000	32	m_x,0,0	-0.46(2)	0.0	0.0	0.46
Cu2_2	Cu	0.25000	0.00000	0.00000	32	0,m_y,m_z	0.0	-0.46	0.0	0.46

[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 Cu2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
2	0.12500	0.12500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
3	0.87500	0.12500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
4	0.00000	0.25000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
6	0.12500	0.62500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
7	0.87500	0.62500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
8	0.00000	0.75000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
10	0.62500	0.12500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
11	0.37500	0.12500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
12	0.50000	0.25000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
14	0.62500	0.62500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
15	0.37500	0.62500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
16	0.50000	0.75000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.00000	0.00000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
18	0.12500	0.12500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
19	0.87500	0.12500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
20	0.00000	0.25000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.00000	0.50000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
22	0.12500	0.62500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
23	0.87500	0.62500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
24	0.00000	0.75000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.50000	0.00000	0.25000	-m_x,0,0	0.46000	0.00000	0.00000
26	0.62500	0.12500	0.12500	0,m_x,0	0.00000	-0.46000	0.00000
27	0.37500	0.12500	0.12500	0,-m_x,0	0.00000	0.46000	0.00000
28	0.50000	0.25000	0.25000	m_x,0,0	-0.46000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.50000	0.50000	0.75000	-m_x,0,0	0.46000	0.00000	0.00000
30	0.62500	0.62500	0.62500	0,m_x,0	0.00000	-0.46000	0.00000
31	0.37500	0.62500	0.62500	0,-m_x,0	0.00000	0.46000	0.00000
32	0.50000	0.75000	0.75000	m_x,0,0	-0.46000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.00000	0,m_y,m_z	0.00000	-0.46000	0.00000
2	0.12500	0.87500	0.37500	-m_y,0,-m_z	0.46000	0.00000	0.00000
3	0.87500	0.37500	0.37500	m_y,0,-m_z	-0.46000	0.00000	0.00000
4	0.75000	0.25000	0.00000	0,-m_y,m_z	0.00000	0.46000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.25000	0.50000	0.50000	0,m_y,m_z	0.00000	-0.46000	0.00000
6	0.12500	0.37500	0.87500	-m_y,0,-m_z	0.46000	0.00000	0.00000
7	0.87500	0.87500	0.87500	m_y,0,-m_z	-0.46000	0.00000	0.00000
8	0.75000	0.75000	0.50000	0,-m_y,m_z	0.00000	0.46000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.75000	0.00000	0.50000	0,m_y,m_z	0.00000	-0.46000	0.00000
10	0.62500	0.87500	0.87500	-m_y,0,-m_z	0.46000	0.00000	0.00000
11	0.37500	0.37500	0.87500	m_y,0,-m_z	-0.46000	0.00000	0.00000
12	0.25000	0.25000	0.50000	0,-m_y,m_z	0.00000	0.46000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.75000	0.50000	0.00000	0,m_y,m_z	0.00000	-0.46000	0.00000
14	0.62500	0.37500	0.37500	-m_y,0,-m_z	0.46000	0.00000	0.00000
15	0.37500	0.87500	0.37500	m_y,0,-m_z	-0.46000	0.00000	0.00000
16	0.25000	0.75000	0.00000	0,-m_y,m_z	0.00000	0.46000	0.00000
(0,0,1/2)' + set click here to show and hide
17	0.25000	0.00000	0.50000	0,-m_y,-m_z	0.00000	0.46000	0.00000
18	0.12500	0.87500	0.87500	m_y,0,m_z	-0.46000	0.00000	0.00000
19	0.87500	0.37500	0.87500	-m_y,0,m_z	0.46000	0.00000	0.00000
20	0.75000	0.25000	0.50000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(0,1/2,0)' + set click here to show and hide
21	0.25000	0.50000	0.00000	0,-m_y,-m_z	0.00000	0.46000	0.00000
22	0.12500	0.37500	0.37500	m_y,0,m_z	-0.46000	0.00000	0.00000
23	0.87500	0.87500	0.37500	-m_y,0,m_z	0.46000	0.00000	0.00000
24	0.75000	0.75000	0.00000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(1/2,0,0)' + set click here to show and hide
25	0.75000	0.00000	0.00000	0,-m_y,-m_z	0.00000	0.46000	0.00000
26	0.62500	0.87500	0.37500	m_y,0,m_z	-0.46000	0.00000	0.00000
27	0.37500	0.37500	0.37500	-m_y,0,m_z	0.46000	0.00000	0.00000
28	0.25000	0.25000	0.00000	0,m_y,-m_z	0.00000	-0.46000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
29	0.75000	0.50000	0.50000	0,-m_y,-m_z	0.00000	0.46000	0.00000
30	0.62500	0.37500	0.87500	m_y,0,m_z	-0.46000	0.00000	0.00000
31	0.37500	0.87500	0.87500	-m_y,0,m_z	0.46000	0.00000	0.00000
32	0.25000	0.75000	0.50000	0,m_y,-m_z	0.00000	-0.46000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mP2	4	2	special	primary	3

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

Cu₄O₃ (#1.418)

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

Cu4O3 (#1.418)

Cu₄O₃ (#1.418)