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

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,y,z,+1	m₁₀₀
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1	Mn4+	0.00000	0.50000	0.36935	16	m_x,m_y,m_z	-2.44(10)	0.6(2)	2.51
Mn2_1	Mn3+	0.20370	0.35160	0.25000	8	m_x,m_y,0	3.12(9)	0.8(2)	3.22
Mn2_2	Mn3+	0.79630	0.64840	0.25000	8	m_x,m_y,0	3.12	0.8	3.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1_1	Bi	0.07985	0.16590	0.00000	8
Bi1_2	Bi	0.92015	0.83410	0.00000	8
O1	O	0.00000	0.00000	0.14330	16
O2_1	O	0.07765	0.44400	0.00000	8
O2_2	O	0.92235	0.55600	0.00000	8
O3_1	O	0.07200	0.42410	0.25000	8
O3_2	O	0.92800	0.57590	0.25000	8
O4_1	O	0.19280	0.19950	0.12695	16
O4_2	O	0.80720	0.80050	0.12695	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	0.50000	0.36935	m_x,m_y,m_z	-2.44000	0.60000	0.00000
2	0.25000	0.00000	0.63065	-m_x,m_y,-m_z	2.44000	0.60000	0.00000
3	0.00000	0.50000	0.63065	-m_x,-m_y,m_z	2.44000	-0.60000	0.00000
4	0.25000	0.00000	0.36935	m_x,-m_y,-m_z	-2.44000	-0.60000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.50000	0.86935	m_x,m_y,m_z	-2.44000	0.60000	0.00000
6	0.75000	0.00000	0.13065	-m_x,m_y,-m_z	2.44000	0.60000	0.00000
7	0.50000	0.50000	0.13065	-m_x,-m_y,m_z	2.44000	-0.60000	0.00000
8	0.75000	0.00000	0.86935	m_x,-m_y,-m_z	-2.44000	-0.60000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.50000	0.86935	-m_x,-m_y,-m_z	2.44000	-0.60000	0.00000
10	0.25000	0.00000	0.13065	m_x,-m_y,m_z	-2.44000	-0.60000	0.00000
11	0.00000	0.50000	0.13065	m_x,m_y,-m_z	-2.44000	0.60000	0.00000
12	0.25000	0.00000	0.86935	-m_x,m_y,m_z	2.44000	0.60000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.50000	0.36935	-m_x,-m_y,-m_z	2.44000	-0.60000	0.00000
14	0.75000	0.00000	0.63065	m_x,-m_y,m_z	-2.44000	-0.60000	0.00000
15	0.50000	0.50000	0.63065	m_x,m_y,-m_z	-2.44000	0.60000	0.00000
16	0.75000	0.00000	0.36935	-m_x,m_y,m_z	2.44000	0.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.20370	0.35160	0.25000	m_x,m_y,0	3.12000	0.80000	0.00000
2	0.04630	0.85160	0.75000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.70370	0.35160	0.75000	m_x,m_y,0	3.12000	0.80000	0.00000
4	0.54630	0.85160	0.25000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.20370	0.35160	0.75000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
6	0.04630	0.85160	0.25000	m_x,-m_y,0	3.12000	-0.80000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.70370	0.35160	0.25000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
8	0.54630	0.85160	0.75000	m_x,-m_y,0	3.12000	-0.80000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79630	0.64840	0.25000	m_x,m_y,0	3.12000	0.80000	0.00000
2	0.45370	0.14840	0.75000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.29630	0.64840	0.75000	m_x,m_y,0	3.12000	0.80000	0.00000
4	0.95370	0.14840	0.25000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.79630	0.64840	0.75000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
6	0.45370	0.14840	0.25000	m_x,-m_y,0	3.12000	-0.80000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.29630	0.64840	0.25000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
8	0.95370	0.14840	0.75000	m_x,-m_y,0	3.12000	-0.80000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Bi1_1:

Atom	x	y	z
1	0.07985	0.16590	0.00000
2	0.17015	0.66590	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.57985	0.16590	0.50000
4	0.67015	0.66590	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.07985	0.16590	0.50000
6	0.17015	0.66590	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.57985	0.16590	0.00000
8	0.67015	0.66590	0.00000

Set of atoms in the unit cell related by symmetry with the atom Bi1_2:

Atom	x	y	z
1	0.92015	0.83410	0.00000
2	0.32985	0.33410	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.42015	0.83410	0.50000
4	0.82985	0.33410	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.92015	0.83410	0.50000
6	0.32985	0.33410	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.42015	0.83410	0.00000
8	0.82985	0.33410	0.00000

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

Atom	x	y	z
1	0.00000	0.00000	0.14330
2	0.25000	0.50000	0.85670
3	0.00000	0.00000	0.85670
4	0.25000	0.50000	0.14330
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.64330
6	0.75000	0.50000	0.35670
7	0.50000	0.00000	0.35670
8	0.75000	0.50000	0.64330
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.00000	0.64330
10	0.25000	0.50000	0.35670
11	0.00000	0.00000	0.35670
12	0.25000	0.50000	0.64330
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.00000	0.14330
14	0.75000	0.50000	0.85670
15	0.50000	0.00000	0.85670
16	0.75000	0.50000	0.14330

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

Atom	x	y	z
1	0.07765	0.44400	0.00000
2	0.17235	0.94400	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.57765	0.44400	0.50000
4	0.67235	0.94400	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.07765	0.44400	0.50000
6	0.17235	0.94400	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.57765	0.44400	0.00000
8	0.67235	0.94400	0.00000

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

Atom	x	y	z
1	0.92235	0.55600	0.00000
2	0.32765	0.05600	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.42235	0.55600	0.50000
4	0.82765	0.05600	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.92235	0.55600	0.50000
6	0.32765	0.05600	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.42235	0.55600	0.00000
8	0.82765	0.05600	0.00000

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.07200	0.42410	0.25000
2	0.17800	0.92410	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.57200	0.42410	0.75000
4	0.67800	0.92410	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.07200	0.42410	0.75000
6	0.17800	0.92410	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.57200	0.42410	0.25000
8	0.67800	0.92410	0.75000

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.92800	0.57590	0.25000
2	0.32200	0.07590	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.42800	0.57590	0.75000
4	0.82200	0.07590	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.92800	0.57590	0.75000
6	0.32200	0.07590	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.42800	0.57590	0.25000
8	0.82200	0.07590	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.19280	0.19950	0.12695
2	0.05720	0.69950	0.87305
3	0.19280	0.19950	0.87305
4	0.05720	0.69950	0.12695
(1/2,0,1/2) + set click here to show and hide
5	0.69280	0.19950	0.62695
6	0.55720	0.69950	0.37305
7	0.69280	0.19950	0.37305
8	0.55720	0.69950	0.62695
(0,0,1/2)' + set click here to show and hide
9	0.19280	0.19950	0.62695
10	0.05720	0.69950	0.37305
11	0.19280	0.19950	0.37305
12	0.05720	0.69950	0.62695
(1/2,0,0)' + set click here to show and hide
13	0.69280	0.19950	0.12695
14	0.55720	0.69950	0.87305
15	0.69280	0.19950	0.87305
16	0.55720	0.69950	0.12695

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.80720	0.80050	0.12695
2	0.44280	0.30050	0.87305
3	0.80720	0.80050	0.87305
4	0.44280	0.30050	0.12695
(1/2,0,1/2) + set click here to show and hide
5	0.30720	0.80050	0.62695
6	0.94280	0.30050	0.37305
7	0.30720	0.80050	0.37305
8	0.94280	0.30050	0.62695
(0,0,1/2)' + set click here to show and hide
9	0.80720	0.80050	0.62695
10	0.44280	0.30050	0.37305
11	0.80720	0.80050	0.37305
12	0.44280	0.30050	0.62695
(1/2,0,0)' + set click here to show and hide
13	0.30720	0.80050	0.12695
14	0.94280	0.30050	0.87305
15	0.30720	0.80050	0.87305
16	0.94280	0.30050	0.12695

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Mn1	Mn4+	0.00000	0.50000	0.36935	16	m_x,m_y,m_z	-2.44(10)	0.6(2)	2.51
Mn2_1	Mn3+	0.20370	0.35160	0.25000	8	m_x,m_y,0	3.12(9)	0.8(2)	3.22
Mn2_2	Mn3+	0.79630	0.64840	0.25000	8	m_x,m_y,0	3.12	0.8	3.22

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.36935	m_x,m_y,m_z	-2.44000	0.60000	0.00000
2	0.25000	0.00000	0.63065	-m_x,m_y,-m_z	2.44000	0.60000	0.00000
3	0.00000	0.50000	0.63065	-m_x,-m_y,m_z	2.44000	-0.60000	0.00000
4	0.25000	0.00000	0.36935	m_x,-m_y,-m_z	-2.44000	-0.60000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.50000	0.86935	m_x,m_y,m_z	-2.44000	0.60000	0.00000
6	0.75000	0.00000	0.13065	-m_x,m_y,-m_z	2.44000	0.60000	0.00000
7	0.50000	0.50000	0.13065	-m_x,-m_y,m_z	2.44000	-0.60000	0.00000
8	0.75000	0.00000	0.86935	m_x,-m_y,-m_z	-2.44000	-0.60000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.00000	0.50000	0.86935	-m_x,-m_y,-m_z	2.44000	-0.60000	0.00000
10	0.25000	0.00000	0.13065	m_x,-m_y,m_z	-2.44000	-0.60000	0.00000
11	0.00000	0.50000	0.13065	m_x,m_y,-m_z	-2.44000	0.60000	0.00000
12	0.25000	0.00000	0.86935	-m_x,m_y,m_z	2.44000	0.60000	0.00000
(1/2,0,0)' + set click here to show and hide
13	0.50000	0.50000	0.36935	-m_x,-m_y,-m_z	2.44000	-0.60000	0.00000
14	0.75000	0.00000	0.63065	m_x,-m_y,m_z	-2.44000	-0.60000	0.00000
15	0.50000	0.50000	0.63065	m_x,m_y,-m_z	-2.44000	0.60000	0.00000
16	0.75000	0.00000	0.36935	-m_x,m_y,m_z	2.44000	0.60000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.20370	0.35160	0.25000	m_x,m_y,0	3.12000	0.80000	0.00000
2	0.04630	0.85160	0.75000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.70370	0.35160	0.75000	m_x,m_y,0	3.12000	0.80000	0.00000
4	0.54630	0.85160	0.25000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.20370	0.35160	0.75000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
6	0.04630	0.85160	0.25000	m_x,-m_y,0	3.12000	-0.80000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.70370	0.35160	0.25000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
8	0.54630	0.85160	0.75000	m_x,-m_y,0	3.12000	-0.80000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.79630	0.64840	0.25000	m_x,m_y,0	3.12000	0.80000	0.00000
2	0.45370	0.14840	0.75000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.29630	0.64840	0.75000	m_x,m_y,0	3.12000	0.80000	0.00000
4	0.95370	0.14840	0.25000	-m_x,m_y,0	-3.12000	0.80000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.79630	0.64840	0.75000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
6	0.45370	0.14840	0.25000	m_x,-m_y,0	3.12000	-0.80000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.29630	0.64840	0.25000	-m_x,-m_y,0	-3.12000	-0.80000	0.00000
8	0.95370	0.14840	0.75000	m_x,-m_y,0	3.12000	-0.80000	0.00000

[Hide]

label	dim. full irrep	dim. small irrep	direction	action
mU1	2	2	special	primary

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

BiMn₂O₅ (#1.74)

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

BiMn2O5 (#1.74)

BiMn₂O₅ (#1.74)