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+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
(0,1/2,1/2) + set click here to show and hide
3	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
4	-x,-y,-z,+1	{ -1 \| 0 }
(1/4,1/4,0) + set click here to show and hide
5	x+1/4,y+1/4,z,+1	{ 1 \| 1/4 1/4 0 }
6	-x+1/4,-y+3/4,-z+1/2,+1	{ -1 \| 1/4 3/4 1/2 }
(1/4,3/4,1/2) + set click here to show and hide
7	x+1/4,y+3/4,z+1/2,+1	{ 1 \| 1/4 3/4 1/2 }
8	-x+1/4,-y+1/4,-z,+1	{ -1 \| 1/4 1/4 0 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
(1/2,1/2,0) + set click here to show and hide
11	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
12	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
(3/4,1/4,1/2) + set click here to show and hide
13	x+3/4,y+1/4,z+1/2,+1	{ 1 \| 3/4 1/4 1/2 }
14	-x+3/4,-y+3/4,-z,+1	{ -1 \| 3/4 3/4 0 }
(3/4,3/4,0) + set click here to show and hide
15	x+3/4,y+3/4,z,+1	{ 1 \| 3/4 3/4 0 }
16	-x+3/4,-y+1/4,-z+1/2,+1	{ -1 \| 3/4 1/4 1/2 }
(1/4,3/4,0)' + set click here to show and hide
17	x+1/4,y+3/4,z,-1	{ 1' \| 1/4 3/4 0 }
18	-x+1/4,-y+1/4,-z+1/2,-1	{ -1' \| 1/4 1/4 1/2 }
(1/4,1/4,1/2)' + set click here to show and hide
19	x+1/4,y+1/4,z+1/2,-1	{ 1' \| 1/4 1/4 1/2 }
20	-x+1/4,-y+3/4,-z,-1	{ -1' \| 1/4 3/4 0 }
(1/2,0,0)' + set click here to show and hide
21	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
22	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
23	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
24	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
(3/4,3/4,1/2)' + set click here to show and hide
25	x+3/4,y+3/4,z+1/2,-1	{ 1' \| 3/4 3/4 1/2 }
26	-x+3/4,-y+1/4,-z,-1	{ -1' \| 3/4 1/4 0 }
(3/4,1/4,0)' + set click here to show and hide
27	x+3/4,y+1/4,z,-1	{ 1' \| 3/4 1/4 0 }
28	-x+3/4,-y+3/4,-z+1/2,-1	{ -1' \| 3/4 3/4 1/2 }
(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,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
31	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
32	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn3+	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	2.94(3)	0.0	1.76(6)	3.04

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu1+	0.00000	0.25000	0.25000	16
O1	O	0.2031	-0.006	0.0893	32

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(1/4,1/4,0) + set click here to show and hide
3	0.25000	0.25000	0.00000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(1/4,3/4,1/2) + set click here to show and hide
4	0.25000	0.75000	0.50000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.50000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(1/2,1/2,0) + set click here to show and hide
6	0.50000	0.50000	0.00000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.50000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(3/4,3/4,0) + set click here to show and hide
8	0.75000	0.75000	0.00000	m_x,m_y,m_z	2.94000	0.00000	1.76000
(1/4,3/4,0)' + set click here to show and hide
9	0.25000	0.75000	0.00000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(1/4,1/4,1/2)' + set click here to show and hide
10	0.25000	0.25000	0.50000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(1/2,0,0)' + set click here to show and hide
11	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(1/2,1/2,1/2)' + set click here to show and hide
12	0.50000	0.50000	0.50000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(3/4,3/4,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.50000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(3/4,1/4,0)' + set click here to show and hide
14	0.75000	0.25000	0.00000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(0,0,1/2)' + set click here to show and hide
15	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000
(0,1/2,0)' + set click here to show and hide
16	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	-2.94000	0.00000	-1.76000

Non-magnetic atoms:

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

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

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

Atom	x	y	z
1	0.20310	0.99400	0.08930
2	0.79690	0.50600	0.41070
(0,1/2,1/2) + set click here to show and hide
3	0.20310	0.49400	0.58930
4	0.79690	0.00600	0.91070
(1/4,1/4,0) + set click here to show and hide
5	0.45310	0.24400	0.08930
6	0.04690	0.75600	0.41070
(1/4,3/4,1/2) + set click here to show and hide
7	0.45310	0.74400	0.58930
8	0.04690	0.25600	0.91070
(1/2,0,1/2) + set click here to show and hide
9	0.70310	0.99400	0.58930
10	0.29690	0.50600	0.91070
(1/2,1/2,0) + set click here to show and hide
11	0.70310	0.49400	0.08930
12	0.29690	0.00600	0.41070
(3/4,1/4,1/2) + set click here to show and hide
13	0.95310	0.24400	0.58930
14	0.54690	0.75600	0.91070
(3/4,3/4,0) + set click here to show and hide
15	0.95310	0.74400	0.08930
16	0.54690	0.25600	0.41070
(1/4,3/4,0)' + set click here to show and hide
17	0.45310	0.74400	0.08930
18	0.04690	0.25600	0.41070
(1/4,1/4,1/2)' + set click here to show and hide
19	0.45310	0.24400	0.58930
20	0.04690	0.75600	0.91070
(1/2,0,0)' + set click here to show and hide
21	0.70310	0.99400	0.08930
22	0.29690	0.50600	0.41070
(1/2,1/2,1/2)' + set click here to show and hide
23	0.70310	0.49400	0.58930
24	0.29690	0.00600	0.91070
(3/4,3/4,1/2)' + set click here to show and hide
25	0.95310	0.74400	0.58930
26	0.54690	0.25600	0.91070
(3/4,1/4,0)' + set click here to show and hide
27	0.95310	0.24400	0.08930
28	0.54690	0.75600	0.41070
(0,0,1/2)' + set click here to show and hide
29	0.20310	0.99400	0.58930
30	0.79690	0.50600	0.91070
(0,1/2,0)' + set click here to show and hide
31	0.20310	0.49400	0.08930
32	0.79690	0.00600	0.41070

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn3+	0.00000	0.00000	0.00000	16	m_x,m_y,m_z	2.94(3)	0.0	1.76(6)	3.04

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

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

CuMnO₂ (#1.57)

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

CuMnO2 (#1.57)

CuMnO₂ (#1.57)