MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,y,-z,+1	{ m₀₀₁ \| 0 }
(1/2,0,1/2) + set click here to show and hide
3	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
(1/2,0,0)' + set click here to show and hide
7	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
8	x+1/2,y,-z,-1	{ m'₀₀₁ \| 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn4+	0.00000	0.50000	0.36935	8	m_x,m_y,m_z	2.10(3)	-0.33(6)	-0.25(6)	2.14
Mn1_2	Mn4+	0.25000	0.00000	0.13065	8	m_x,m_y,m_z	2.07(3)	0.56(6)	0.08(6)	2.15
Mn2_1	Mn3+	0.20370	0.35160	0.25000	4	m_x,m_y,0	-2.83(5)	0.33(10)	0.0	2.85
Mn2_2	Mn3+	0.29630	0.64840	0.25000	4	m_x,m_y,0	2.80(5)	-0.34(9)	0.0	2.82
Mn2_3	Mn3+	0.04630	0.85160	0.25000	4	m_x,m_y,0	-2.83(5)	-0.23(10)	0.0	2.84
Mn2_4	Mn3+	0.45370	0.14840	0.25000	4	m_x,m_y,0	-2.74(5)	-0.64(10)	0.0	2.81

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Bi1_1	Bi	0.07985	0.16590	0.00000	4
Bi1_2	Bi	0.92015	0.83410	0.00000	4
Bi1_3	Bi	0.17015	0.66590	0.00000	4
Bi1_4	Bi	0.32985	0.33410	0.00000	4
O1_1	O	0.00000	0.00000	0.14330	8
O1_2	O	0.25000	0.50000	0.85670	8
O2_1	O	0.07765	0.44400	0.00000	4
O2_2	O	0.92235	0.55600	0.00000	4
O2_3	O	0.17235	0.94400	0.00000	4
O2_4	O	0.32765	0.05600	0.00000	4
O3_1	O	0.07200	0.42410	0.25000	4
O3_2	O	0.92800	0.57590	0.25000	4
O3_3	O	0.17800	0.92410	0.25000	4
O3_4	O	0.32200	0.07590	0.25000	4
O4_1	O	0.19280	0.19950	0.12695	8
O4_2	O	0.80720	0.80050	0.12695	8
O4_3	O	0.05720	0.69950	0.87305	8
O4_4	O	0.44280	0.30050	0.87305	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_1:

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	2.10000	-0.33000	-0.25000
2	0.00000	0.50000	0.63065	-m_x,-m_y,m_z	-2.10000	0.33000	-0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.50000	0.86935	m_x,m_y,m_z	2.10000	-0.33000	-0.25000
4	0.50000	0.50000	0.13065	-m_x,-m_y,m_z	-2.10000	0.33000	-0.25000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.86935	-m_x,-m_y,-m_z	-2.10000	0.33000	0.25000
6	0.00000	0.50000	0.13065	m_x,m_y,-m_z	2.10000	-0.33000	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.50000	0.36935	-m_x,-m_y,-m_z	-2.10000	0.33000	0.25000
8	0.50000	0.50000	0.63065	m_x,m_y,-m_z	2.10000	-0.33000	0.25000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.00000	0.13065	m_x,m_y,m_z	2.07000	0.56000	0.08000
2	0.25000	0.00000	0.86935	-m_x,-m_y,m_z	-2.07000	-0.56000	0.08000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.63065	m_x,m_y,m_z	2.07000	0.56000	0.08000
4	0.75000	0.00000	0.36935	-m_x,-m_y,m_z	-2.07000	-0.56000	0.08000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.00000	0.63065	-m_x,-m_y,-m_z	-2.07000	-0.56000	-0.08000
6	0.25000	0.00000	0.36935	m_x,m_y,-m_z	2.07000	0.56000	-0.08000
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.00000	0.13065	-m_x,-m_y,-m_z	-2.07000	-0.56000	-0.08000
8	0.75000	0.00000	0.86935	m_x,m_y,-m_z	2.07000	0.56000	-0.08000

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	-2.83000	0.33000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.70370	0.35160	0.75000	m_x,m_y,0	-2.83000	0.33000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.20370	0.35160	0.75000	-m_x,-m_y,0	2.83000	-0.33000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.70370	0.35160	0.25000	-m_x,-m_y,0	2.83000	-0.33000	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	0.29630	0.64840	0.25000	m_x,m_y,0	2.80000	-0.34000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.79630	0.64840	0.75000	m_x,m_y,0	2.80000	-0.34000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.29630	0.64840	0.75000	-m_x,-m_y,0	-2.80000	0.34000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.79630	0.64840	0.25000	-m_x,-m_y,0	-2.80000	0.34000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.04630	0.85160	0.25000	m_x,m_y,0	-2.83000	-0.23000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.54630	0.85160	0.75000	m_x,m_y,0	-2.83000	-0.23000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.04630	0.85160	0.75000	-m_x,-m_y,0	2.83000	0.23000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.54630	0.85160	0.25000	-m_x,-m_y,0	2.83000	0.23000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.45370	0.14840	0.25000	m_x,m_y,0	-2.74000	-0.64000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.95370	0.14840	0.75000	m_x,m_y,0	-2.74000	-0.64000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.45370	0.14840	0.75000	-m_x,-m_y,0	2.74000	0.64000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.95370	0.14840	0.25000	-m_x,-m_y,0	2.74000	0.64000	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
(1/2,0,1/2) + set click here to show and hide
2	0.57985	0.16590	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.07985	0.16590	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.57985	0.16590	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
(1/2,0,1/2) + set click here to show and hide
2	0.42015	0.83410	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.92015	0.83410	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.42015	0.83410	0.00000

Set of atoms in the unit cell related by symmetry with the atom Bi1_3:

Atom	x	y	z
1	0.17015	0.66590	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.67015	0.66590	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.17015	0.66590	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.67015	0.66590	0.00000

Set of atoms in the unit cell related by symmetry with the atom Bi1_4:

Atom	x	y	z
1	0.32985	0.33410	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.82985	0.33410	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.32985	0.33410	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.82985	0.33410	0.00000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.00000	0.00000	0.14330
2	0.00000	0.00000	0.85670
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.64330
4	0.50000	0.00000	0.35670
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.64330
6	0.00000	0.00000	0.35670
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.14330
8	0.50000	0.00000	0.85670

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.25000	0.50000	0.85670
2	0.25000	0.50000	0.14330
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.50000	0.35670
4	0.75000	0.50000	0.64330
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.50000	0.35670
6	0.25000	0.50000	0.64330
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.50000	0.85670
8	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
(1/2,0,1/2) + set click here to show and hide
2	0.57765	0.44400	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.07765	0.44400	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.57765	0.44400	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
(1/2,0,1/2) + set click here to show and hide
2	0.42235	0.55600	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.92235	0.55600	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.42235	0.55600	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.17235	0.94400	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.67235	0.94400	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.17235	0.94400	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.67235	0.94400	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.32765	0.05600	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.82765	0.05600	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.32765	0.05600	0.50000
(1/2,0,0)' + set click here to show and hide
4	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
(1/2,0,1/2) + set click here to show and hide
2	0.57200	0.42410	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.07200	0.42410	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.57200	0.42410	0.25000

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
(1/2,0,1/2) + set click here to show and hide
2	0.42800	0.57590	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.92800	0.57590	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.42800	0.57590	0.25000

Set of atoms in the unit cell related by symmetry with the atom O3_3:

Atom	x	y	z
1	0.17800	0.92410	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.67800	0.92410	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.17800	0.92410	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.67800	0.92410	0.25000

Set of atoms in the unit cell related by symmetry with the atom O3_4:

Atom	x	y	z
1	0.32200	0.07590	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.82200	0.07590	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.32200	0.07590	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.82200	0.07590	0.25000

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	0.19280	0.19950	0.87305
(1/2,0,1/2) + set click here to show and hide
3	0.69280	0.19950	0.62695
4	0.69280	0.19950	0.37305
(0,0,1/2)' + set click here to show and hide
5	0.19280	0.19950	0.62695
6	0.19280	0.19950	0.37305
(1/2,0,0)' + set click here to show and hide
7	0.69280	0.19950	0.12695
8	0.69280	0.19950	0.87305

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	0.80720	0.80050	0.87305
(1/2,0,1/2) + set click here to show and hide
3	0.30720	0.80050	0.62695
4	0.30720	0.80050	0.37305
(0,0,1/2)' + set click here to show and hide
5	0.80720	0.80050	0.62695
6	0.80720	0.80050	0.37305
(1/2,0,0)' + set click here to show and hide
7	0.30720	0.80050	0.12695
8	0.30720	0.80050	0.87305

Set of atoms in the unit cell related by symmetry with the atom O4_3:

Atom	x	y	z
1	0.05720	0.69950	0.87305
2	0.05720	0.69950	0.12695
(1/2,0,1/2) + set click here to show and hide
3	0.55720	0.69950	0.37305
4	0.55720	0.69950	0.62695
(0,0,1/2)' + set click here to show and hide
5	0.05720	0.69950	0.37305
6	0.05720	0.69950	0.62695
(1/2,0,0)' + set click here to show and hide
7	0.55720	0.69950	0.87305
8	0.55720	0.69950	0.12695

Set of atoms in the unit cell related by symmetry with the atom O4_4:

Atom	x	y	z
1	0.44280	0.30050	0.87305
2	0.44280	0.30050	0.12695
(1/2,0,1/2) + set click here to show and hide
3	0.94280	0.30050	0.37305
4	0.94280	0.30050	0.62695
(0,0,1/2)' + set click here to show and hide
5	0.44280	0.30050	0.37305
6	0.44280	0.30050	0.62695
(1/2,0,0)' + set click here to show and hide
7	0.94280	0.30050	0.87305
8	0.94280	0.30050	0.12695

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn4+	0.00000	0.50000	0.36935	8	m_x,m_y,m_z	2.10(3)	-0.33(6)	-0.25(6)	2.14
Mn1_2	Mn4+	0.25000	0.00000	0.13065	8	m_x,m_y,m_z	2.07(3)	0.56(6)	0.08(6)	2.15
Mn2_1	Mn3+	0.20370	0.35160	0.25000	4	m_x,m_y,0	-2.83(5)	0.33(10)	0.0	2.85
Mn2_2	Mn3+	0.29630	0.64840	0.25000	4	m_x,m_y,0	2.80(5)	-0.34(9)	0.0	2.82
Mn2_3	Mn3+	0.04630	0.85160	0.25000	4	m_x,m_y,0	-2.83(5)	-0.23(10)	0.0	2.84
Mn2_4	Mn3+	0.45370	0.14840	0.25000	4	m_x,m_y,0	-2.74(5)	-0.64(10)	0.0	2.81

[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: