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,-z+1/4,+1	{ 2₁₀₀ \| 0 0 1/4 }
3	-x,-y,-z+1/4,+1	{ -1 \| 0 0 1/4 }
4	-x,y,z,+1	{ m₁₀₀ \| 0 }
(1/2,1/4,3/4) + set click here to show and hide
5	x+1/2,y+1/4,z+3/4,+1	{ 1 \| 1/2 1/4 3/4 }
6	x+1/2,-y+1/4,-z,+1	{ 2₁₀₀ \| 1/2 1/4 0 }
7	-x+1/2,-y+1/4,-z,+1	{ -1 \| 1/2 1/4 0 }
8	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
(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	x,-y+1/2,-z+3/4,+1	{ 2₁₀₀ \| 0 1/2 3/4 }
11	-x,-y+1/2,-z+3/4,+1	{ -1 \| 0 1/2 3/4 }
12	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
(1/2,3/4,1/4) + set click here to show and hide
13	x+1/2,y+3/4,z+1/4,+1	{ 1 \| 1/2 3/4 1/4 }
14	x+1/2,-y+3/4,-z+1/2,+1	{ 2₁₀₀ \| 1/2 3/4 1/2 }
15	-x+1/2,-y+3/4,-z+1/2,+1	{ -1 \| 1/2 3/4 1/2 }
16	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	x,-y+1/2,-z+1/4,-1	{ 2'₁₀₀ \| 0 1/2 1/4 }
19	-x,-y+1/2,-z+1/4,-1	{ -1' \| 0 1/2 1/4 }
20	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }
(1/2,3/4,3/4)' + set click here to show and hide
21	x+1/2,y+3/4,z+3/4,-1	{ 1' \| 1/2 3/4 3/4 }
22	x+1/2,-y+3/4,-z,-1	{ 2'₁₀₀ \| 1/2 3/4 0 }
23	-x+1/2,-y+3/4,-z,-1	{ -1' \| 1/2 3/4 0 }
24	-x+1/2,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 3/4 3/4 }
(0,0,1/2)' + set click here to show and hide
25	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
26	x,-y,-z+3/4,-1	{ 2'₁₀₀ \| 0 0 3/4 }
27	-x,-y,-z+3/4,-1	{ -1' \| 0 0 3/4 }
28	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
(1/2,1/4,1/4)' + set click here to show and hide
29	x+1/2,y+1/4,z+1/4,-1	{ 1' \| 1/2 1/4 1/4 }
30	x+1/2,-y+1/4,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/4 1/2 }
31	-x+1/2,-y+1/4,-z+1/2,-1	{ -1' \| 1/2 1/4 1/2 }
32	-x+1/2,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 1/4 1/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	16	m_x,0,0	1.	0.0	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Br1_1	Br	0.00000	0.16667	0.06250	16
Br1_2	Br	0.00000	0.16667	0.31250	16

[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,0,0	1.00000	0.00000	0.00000
2	0.00000	0.00000	0.25000	m_x,0,0	1.00000	0.00000	0.00000
(1/2,1/4,3/4) + set click here to show and hide
3	0.50000	0.25000	0.75000	m_x,0,0	1.00000	0.00000	0.00000
4	0.50000	0.25000	0.00000	m_x,0,0	1.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,0,0	1.00000	0.00000	0.00000
6	0.00000	0.50000	0.75000	m_x,0,0	1.00000	0.00000	0.00000
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.75000	0.25000	m_x,0,0	1.00000	0.00000	0.00000
8	0.50000	0.75000	0.50000	m_x,0,0	1.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.00000	-m_x,0,0	-1.00000	0.00000	0.00000
10	0.00000	0.50000	0.25000	-m_x,0,0	-1.00000	0.00000	0.00000
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.75000	0.75000	-m_x,0,0	-1.00000	0.00000	0.00000
12	0.50000	0.75000	0.00000	-m_x,0,0	-1.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.00000	0.50000	-m_x,0,0	-1.00000	0.00000	0.00000
14	0.00000	0.00000	0.75000	-m_x,0,0	-1.00000	0.00000	0.00000
(1/2,1/4,1/4)' + set click here to show and hide
15	0.50000	0.25000	0.25000	-m_x,0,0	-1.00000	0.00000	0.00000
16	0.50000	0.25000	0.50000	-m_x,0,0	-1.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Br1_1:

Atom	x	y	z
1	0.00000	0.16667	0.06250
2	0.00000	0.83333	0.18750
(1/2,1/4,3/4) + set click here to show and hide
3	0.50000	0.41667	0.81250
4	0.50000	0.08333	0.93750
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.66667	0.56250
6	0.00000	0.33333	0.68750
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.91667	0.31250
8	0.50000	0.58333	0.43750
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.66667	0.06250
10	0.00000	0.33333	0.18750
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.91667	0.81250
12	0.50000	0.58333	0.93750
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.16667	0.56250
14	0.00000	0.83333	0.68750
(1/2,1/4,1/4)' + set click here to show and hide
15	0.50000	0.41667	0.31250
16	0.50000	0.08333	0.43750

Set of atoms in the unit cell related by symmetry with the atom Br1_2:

Atom	x	y	z
1	0.00000	0.16667	0.31250
2	0.00000	0.83333	0.93750
(1/2,1/4,3/4) + set click here to show and hide
3	0.50000	0.41667	0.06250
4	0.50000	0.08333	0.68750
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.66667	0.81250
6	0.00000	0.33333	0.43750
(1/2,3/4,1/4) + set click here to show and hide
7	0.50000	0.91667	0.56250
8	0.50000	0.58333	0.18750
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.66667	0.31250
10	0.00000	0.33333	0.93750
(1/2,3/4,3/4)' + set click here to show and hide
11	0.50000	0.91667	0.06250
12	0.50000	0.58333	0.68750
(0,0,1/2)' + set click here to show and hide
13	0.00000	0.16667	0.81250
14	0.00000	0.83333	0.43750
(1/2,1/4,1/4)' + set click here to show and hide
15	0.50000	0.41667	0.56250
16	0.50000	0.08333	0.18750

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	16	m_x,0,0	1.	0.0	0.0	1.00

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mD1	6	1	special	primary	1

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

MnBr₂ (#1.239)

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

MnBr2 (#1.239)

MnBr₂ (#1.239)