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+1/4,y,-z+1/4,+1	{ 2₀₁₀ \| 1/4 0 1/4 }
3	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
4	x+1/4,-y,z+1/4,+1	{ m₀₁₀ \| 1/4 0 1/4 }
5	x,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 0 1/4 1/4 }
6	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
7	-x+1/2,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 3/4 1/4 }
8	x+1/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 3/4 1/2 }
(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+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
13	x,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 0 3/4 3/4 }
14	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
15	-x+1/2,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 1/4 3/4 }
16	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }
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17	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
18	-x+3/4,y,-z+3/4,+1	{ 2₀₁₀ \| 3/4 0 3/4 }
19	-x,-y,-z,+1	{ -1 \| 0 }
20	x+3/4,-y,z+3/4,+1	{ m₀₁₀ \| 3/4 0 3/4 }
21	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
22	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
23	-x,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 0 3/4 3/4 }
24	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }
(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	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
27	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
28	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
29	x+1/2,-y+3/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 3/4 1/4 }
30	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }
31	-x,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 0 1/4 1/4 }
32	x+3/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 1/4 1/2 }

[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
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.22	16	m_x,m_y,m_z	1.78(2)	0.0	0.0	1.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1	Bi	0.00000	0.00000	0.00000	0.78	16
Ru1	Ru	0.50000	0.50000	0.50000	0.6	16
Mn2	Mn	0.50000	0.50000	0.50000	0.15	16
Bi2	Bi	0.50000	0.50000	0.50000	0.25	16
O1_1_1	O	0.82600(1)	0.12500	0.12500	1.	16
O1_1_2	O	0.12500	0.82600	0.12500	1.	16
O1_1_3	O	0.12500	0.12500	0.82600	1.	16
O2	O	0.12500	0.12500	0.12500	1.	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 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	1.78000	0.00000	0.00000
2	0.25000	0.00000	0.25000	-m_x,m_y,-m_z	-1.78000	0.00000	0.00000
3	0.00000	0.25000	0.25000	-m_x,m_y,m_z	-1.78000	0.00000	0.00000
4	0.25000	0.25000	0.00000	m_x,m_y,-m_z	1.78000	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,m_y,m_z	1.78000	0.00000	0.00000
6	0.25000	0.50000	0.75000	-m_x,m_y,-m_z	-1.78000	0.00000	0.00000
7	0.00000	0.75000	0.75000	-m_x,m_y,m_z	-1.78000	0.00000	0.00000
8	0.25000	0.75000	0.50000	m_x,m_y,-m_z	1.78000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_y,m_z	1.78000	0.00000	0.00000
10	0.75000	0.00000	0.75000	-m_x,m_y,-m_z	-1.78000	0.00000	0.00000
11	0.50000	0.25000	0.75000	-m_x,m_y,m_z	-1.78000	0.00000	0.00000
12	0.75000	0.25000	0.50000	m_x,m_y,-m_z	1.78000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_y,m_z	1.78000	0.00000	0.00000
14	0.75000	0.50000	0.25000	-m_x,m_y,-m_z	-1.78000	0.00000	0.00000
15	0.50000	0.75000	0.25000	-m_x,m_y,m_z	-1.78000	0.00000	0.00000
16	0.75000	0.75000	0.00000	m_x,m_y,-m_z	1.78000	0.00000	0.00000

Non-magnetic atoms:

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

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

Set of atoms in the unit cell related by symmetry with the atom Ru1:

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

Set of atoms in the unit cell related by symmetry with the atom Mn2:

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

Set of atoms in the unit cell related by symmetry with the atom Bi2:

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

Set of atoms in the unit cell related by symmetry with the atom O1_1_1:

Atom	x	y	z
1	0.82600	0.12500	0.12500
2	0.42400	0.12500	0.12500
3	0.67400	0.87500	0.37500
4	0.07600	0.87500	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.82600	0.62500	0.62500
6	0.42400	0.62500	0.62500
7	0.67400	0.37500	0.87500
8	0.07600	0.37500	0.87500
(1/2,0,1/2) + set click here to show and hide
9	0.32600	0.12500	0.62500
10	0.92400	0.12500	0.62500
11	0.17400	0.87500	0.87500
12	0.57600	0.87500	0.87500
(1/2,1/2,0) + set click here to show and hide
13	0.32600	0.62500	0.12500
14	0.92400	0.62500	0.12500
15	0.17400	0.37500	0.37500
16	0.57600	0.37500	0.37500

Set of atoms in the unit cell related by symmetry with the atom O1_1_2:

Atom	x	y	z
1	0.12500	0.82600	0.12500
2	0.37500	0.17400	0.37500
3	0.12500	0.42400	0.12500
4	0.37500	0.57600	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.12500	0.32600	0.62500
6	0.37500	0.67400	0.87500
7	0.12500	0.92400	0.62500
8	0.37500	0.07600	0.87500
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.82600	0.62500
10	0.87500	0.17400	0.87500
11	0.62500	0.42400	0.62500
12	0.87500	0.57600	0.87500
(1/2,1/2,0) + set click here to show and hide
13	0.62500	0.32600	0.12500
14	0.87500	0.67400	0.37500
15	0.62500	0.92400	0.12500
16	0.87500	0.07600	0.37500

Set of atoms in the unit cell related by symmetry with the atom O1_1_3:

Atom	x	y	z
1	0.12500	0.12500	0.82600
2	0.12500	0.12500	0.42400
3	0.37500	0.87500	0.67400
4	0.37500	0.87500	0.07600
(0,1/2,1/2) + set click here to show and hide
5	0.12500	0.62500	0.32600
6	0.12500	0.62500	0.92400
7	0.37500	0.37500	0.17400
8	0.37500	0.37500	0.57600
(1/2,0,1/2) + set click here to show and hide
9	0.62500	0.12500	0.32600
10	0.62500	0.12500	0.92400
11	0.87500	0.87500	0.17400
12	0.87500	0.87500	0.57600
(1/2,1/2,0) + set click here to show and hide
13	0.62500	0.62500	0.82600
14	0.62500	0.62500	0.42400
15	0.87500	0.37500	0.67400
16	0.87500	0.37500	0.07600

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

Atom	x	y	z
1	0.12500	0.12500	0.12500
2	0.37500	0.87500	0.37500
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500
4	0.37500	0.37500	0.87500
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500
6	0.87500	0.87500	0.87500
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500
8	0.87500	0.37500	0.37500

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.22	16	m_x,m_y,m_z	1.78(2)	0.0	0.0	1.78

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5+	3	3	special	primary	1
mGM4+	3	3	special	primary	2

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

Bi₂RuMnO₇ (#0.153)

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

Bi2RuMnO7 (#0.153)

Bi₂RuMnO₇ (#0.153)