MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.76448	0.86823	0.12237	0.5000	8	m_x,m_y,m_z	-2.10(6)	2.10
Sc1	Sc	0.76448	0.86823	0.12237	0.5000	8	m_x,m_y,m_z	-2.1	2.10
Fe2	Fe	0.75585	0.37829	0.12449	0.5000	8	m_x,m_y,m_z	-2.1	2.10
Sc2	Sc	0.75585	0.37829	0.12449	0.5000	8	m_x,m_y,m_z	-2.1	2.10

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Bi1	Bi	0.31011	0.01048	0.13298	1.0000	8
Bi2	Bi	0.30139	0.25000	0.11177	1.0000	4
Bi3	Bi	0.21820	0.25000	0.63493	1.0000	4
O1	O	-0.04055	0.87239	-0.01449	1.0000	8
O2	O	-0.00086	0.84436	0.50140	1.0000	8
O3	O	0.56685	0.89838	0.77950	1.0000	8
O4	O	0.52994	0.39881	0.75980	1.0000	8
O5	O	0.69807	-0.00201	0.07582	1.0000	8
O6	O	0.71845	0.25000	0.15681	1.0000	4
O7	O	0.82485	0.25000	0.65913	1.0000	4

[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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.76448	0.86823	0.12237	m_x,m_y,m_z	-2.10000
2	0.73552	0.13177	0.62237	-m_x,-m_y,m_z	2.10000
3	0.23552	0.13177	0.87763	m_x,m_y,m_z	-2.10000
4	0.26448	0.86823	0.37763	-m_x,-m_y,m_z	2.10000
5	0.26448	0.63177	0.37763	-m_x,m_y,m_z	-2.10000
6	0.23552	0.36823	0.87763	m_x,-m_y,m_z	2.10000
7	0.73552	0.36823	0.62237	-m_x,m_y,m_z	-2.10000
8	0.76448	0.63177	0.12237	m_x,-m_y,m_z	2.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Sc1:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.76448	0.86823	0.12237	m_x,m_y,m_z	-2.10000
2	0.73552	0.13177	0.62237	-m_x,-m_y,m_z	2.10000
3	0.23552	0.13177	0.87763	m_x,m_y,m_z	-2.10000
4	0.26448	0.86823	0.37763	-m_x,-m_y,m_z	2.10000
5	0.26448	0.63177	0.37763	-m_x,m_y,m_z	-2.10000
6	0.23552	0.36823	0.87763	m_x,-m_y,m_z	2.10000
7	0.73552	0.36823	0.62237	-m_x,m_y,m_z	-2.10000
8	0.76448	0.63177	0.12237	m_x,-m_y,m_z	2.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.75585	0.37829	0.12449	m_x,m_y,m_z	-2.10000
2	0.74415	0.62171	0.62449	-m_x,-m_y,m_z	2.10000
3	0.24415	0.62171	0.87551	m_x,m_y,m_z	-2.10000
4	0.25585	0.37829	0.37551	-m_x,-m_y,m_z	2.10000
5	0.25585	0.12171	0.37551	-m_x,m_y,m_z	-2.10000
6	0.24415	0.87829	0.87551	m_x,-m_y,m_z	2.10000
7	0.74415	0.87829	0.62449	-m_x,m_y,m_z	-2.10000
8	0.75585	0.12171	0.12449	m_x,-m_y,m_z	2.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Sc2:

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.75585	0.37829	0.12449	m_x,m_y,m_z	-2.10000
2	0.74415	0.62171	0.62449	-m_x,-m_y,m_z	2.10000
3	0.24415	0.62171	0.87551	m_x,m_y,m_z	-2.10000
4	0.25585	0.37829	0.37551	-m_x,-m_y,m_z	2.10000
5	0.25585	0.12171	0.37551	-m_x,m_y,m_z	-2.10000
6	0.24415	0.87829	0.87551	m_x,-m_y,m_z	2.10000
7	0.74415	0.87829	0.62449	-m_x,m_y,m_z	-2.10000
8	0.75585	0.12171	0.12449	m_x,-m_y,m_z	2.10000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.31011	0.01048	0.13298
2	0.18989	0.98952	0.63298
3	0.68989	0.98952	0.86702
4	0.81011	0.01048	0.36702
5	0.81011	0.48952	0.36702
6	0.68989	0.51048	0.86702
7	0.18989	0.51048	0.63298
8	0.31011	0.48952	0.13298

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

Atom	x	y	z
1	0.30139	0.25000	0.11177
2	0.19861	0.75000	0.61177
3	0.69861	0.75000	0.88823
4	0.80139	0.25000	0.38823

Set of atoms in the unit cell related by symmetry with the atom Bi3:

Atom	x	y	z
1	0.21820	0.25000	0.63493
2	0.28180	0.75000	0.13493
3	0.78180	0.75000	0.36507
4	0.71820	0.25000	0.86507

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

Atom	x	y	z
1	0.95945	0.87239	0.98551
2	0.54055	0.12761	0.48551
3	0.04055	0.12761	0.01449
4	0.45945	0.87239	0.51449
5	0.45945	0.62761	0.51449
6	0.04055	0.37239	0.01449
7	0.54055	0.37239	0.48551
8	0.95945	0.62761	0.98551

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

Atom	x	y	z
1	0.99914	0.84436	0.50140
2	0.50086	0.15564	0.00140
3	0.00086	0.15564	0.49860
4	0.49914	0.84436	0.99860
5	0.49914	0.65564	0.99860
6	0.00086	0.34436	0.49860
7	0.50086	0.34436	0.00140
8	0.99914	0.65564	0.50140

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

Atom	x	y	z
1	0.56685	0.89838	0.77950
2	0.93315	0.10162	0.27950
3	0.43315	0.10162	0.22050
4	0.06685	0.89838	0.72050
5	0.06685	0.60162	0.72050
6	0.43315	0.39838	0.22050
7	0.93315	0.39838	0.27950
8	0.56685	0.60162	0.77950

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.52994	0.39881	0.75980
2	0.97006	0.60119	0.25980
3	0.47006	0.60119	0.24020
4	0.02994	0.39881	0.74020
5	0.02994	0.10119	0.74020
6	0.47006	0.89881	0.24020
7	0.97006	0.89881	0.25980
8	0.52994	0.10119	0.75980

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.69807	0.99799	0.07582
2	0.80193	0.00201	0.57582
3	0.30193	0.00201	0.92418
4	0.19807	0.99799	0.42418
5	0.19807	0.50201	0.42418
6	0.30193	0.49799	0.92418
7	0.80193	0.49799	0.57582
8	0.69807	0.50201	0.07582

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.71845	0.25000	0.15681
2	0.78155	0.75000	0.65681
3	0.28155	0.75000	0.84319
4	0.21845	0.25000	0.34319

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.82485	0.25000	0.65913
2	0.67515	0.75000	0.15913
3	0.17515	0.75000	0.34087
4	0.32485	0.25000	0.84087

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.76448	0.86823	0.12237	0.5000	8	m_x,m_y,m_z	-2.10(6)	2.10
Sc1	Sc	0.76448	0.86823	0.12237	0.5000	8	m_x,m_y,m_z	-2.1	2.10
Fe2	Fe	0.75585	0.37829	0.12449	0.5000	8	m_x,m_y,m_z	-2.1	2.10
Sc2	Sc	0.75585	0.37829	0.12449	0.5000	8	m_x,m_y,m_z	-2.1	2.10

[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: