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+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
7	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
8	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 0 }
11	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
12	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
13	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
14	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
15	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

[Hide]

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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	-0.72(2)	-0.57(2)	0.92
Cu2	Cu	0.25000	0.25000	0.39626	4	0,0,m_z	0.0	0.0	0.90(4)	0.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.25000	0.25000	0.12006	4
Se1	Se	0.25000	0.55649	0.30578	8
Br1	Br	0.25000	0.75000	0.07895	4
O1	O	0.25000	0.11380	0.49580	8
O2	O	0.04100	0.58360	0.37790	16
O3	O	0.25000	0.11590	0.29485	8

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 Cu1:

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	0.00000	-0.72000	-0.57000
2	0.50000	0.00000	0.50000	m_x,-m_y,-m_z	0.00000	0.72000	0.57000
3	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	-0.72000	0.57000
4	0.50000	0.50000	0.00000	-m_x,-m_y,m_z	0.00000	0.72000	-0.57000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	0.00000	0.72000	0.57000
6	0.50000	0.00000	0.00000	-m_x,m_y,m_z	0.00000	-0.72000	-0.57000
7	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.00000	0.72000	-0.57000
8	0.50000	0.50000	0.50000	m_x,m_y,-m_z	0.00000	-0.72000	0.57000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.39626	0,0,m_z	0.00000	0.00000	0.90000
2	0.75000	0.75000	0.10374	0,0,-m_z	0.00000	0.00000	-0.90000
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.25000	0.89626	0,0,-m_z	0.00000	0.00000	-0.90000
4	0.75000	0.75000	0.60374	0,0,m_z	0.00000	0.00000	0.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1:

Atom	x	y	z
1	0.25000	0.25000	0.12006
2	0.75000	0.75000	0.37994
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.25000	0.62006
4	0.75000	0.75000	0.87994

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.25000	0.55649	0.30578
2	0.75000	0.44351	0.19422
3	0.75000	0.05649	0.19422
4	0.25000	0.94351	0.30578
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.55649	0.80578
6	0.75000	0.44351	0.69422
7	0.75000	0.05649	0.69422
8	0.25000	0.94351	0.80578

Set of atoms in the unit cell related by symmetry with the atom Br1:

Atom	x	y	z
1	0.25000	0.75000	0.07895
2	0.75000	0.25000	0.42105
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.75000	0.57895
4	0.75000	0.25000	0.92105

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

Atom	x	y	z
1	0.25000	0.11380	0.49580
2	0.75000	0.88620	0.00420
3	0.75000	0.61380	0.00420
4	0.25000	0.38620	0.49580
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.11380	0.99580
6	0.75000	0.88620	0.50420
7	0.75000	0.61380	0.50420
8	0.25000	0.38620	0.99580

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.04100	0.58360	0.37790
2	0.54100	0.41640	0.12210
3	0.95900	0.08360	0.12210
4	0.45900	0.91640	0.37790
5	0.95900	0.41640	0.62210
6	0.45900	0.58360	0.87790
7	0.04100	0.91640	0.87790
8	0.54100	0.08360	0.62210
(0,0,1/2)' + set click here to show and hide
9	0.04100	0.58360	0.87790
10	0.54100	0.41640	0.62210
11	0.95900	0.08360	0.62210
12	0.45900	0.91640	0.87790
13	0.95900	0.41640	0.12210
14	0.45900	0.58360	0.37790
15	0.04100	0.91640	0.37790
16	0.54100	0.08360	0.12210

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.25000	0.11590	0.29485
2	0.75000	0.88410	0.20515
3	0.75000	0.61590	0.20515
4	0.25000	0.38410	0.29485
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.11590	0.79485
6	0.75000	0.88410	0.70515
7	0.75000	0.61590	0.70515
8	0.25000	0.38410	0.79485

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cu1	Cu	0.00000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	-0.72(2)	-0.57(2)	0.92
Cu2	Cu	0.25000	0.25000	0.39626	4	0,0,m_z	0.0	0.0	0.90(4)	0.90

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