MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	1.	2	m_x,0,0	1.94(15)	1.94
Fe2_1	Fe	0.83300	0.66600	0.25000	1.	2	m_x,0,0	2.36(8)	2.36
Fe2_2	Fe	0.33400	0.16700	0.25000	1.	4	m_x,m_y,0	2.36(8)	2.36

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sc1	Sc	0.33333	0.66667	0.06320	1.	4
D1_1	D	0.04200	0.33200	0.56300	0.184	8
D1_2	D	0.66800	0.71000	0.56300	0.184	8
D1_3	D	0.29000	0.95800	0.56300	0.184	8
D2_1	D	0.47600	0.95200	0.63800	0.134	4
D2_2	D	0.04800	0.52400	0.63800	0.134	8
D3_1	D	0.28300	0.56600	0.25000	0.038	2
D3_2	D	0.43400	0.71700	0.25000	0.038	4
D4_1	D	0.47900	0.95800	0.25000	0.192	2
D4_2	D	0.04200	0.52100	0.25000	0.192	4

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_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	1.94000	0.00000	0.00000
2	0.00000	0.00000	0.50000	m_x,0,0	1.94000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.83300	0.66600	0.25000	m_x,0,0	2.36000	0.00000	0.00000
2	0.16700	0.33400	0.75000	m_x,0,0	2.36000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.33400	0.16700	0.25000	m_x,m_y,0	2.36000
2	0.16700	0.83300	0.75000	m_x-m_y,-m_y,0	2.36000
3	0.66600	0.83300	0.75000	m_x,m_y,0	2.36000
4	0.83300	0.16700	0.25000	m_x-m_y,-m_y,0	2.36000

Non-magnetic atoms:

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

Set of atoms in the unit cell related by symmetry with the atom D1_1:

Set of atoms in the unit cell related by symmetry with the atom D1_2:

Set of atoms in the unit cell related by symmetry with the atom D1_3:

Set of atoms in the unit cell related by symmetry with the atom D2_1:

Set of atoms in the unit cell related by symmetry with the atom D2_2:

Set of atoms in the unit cell related by symmetry with the atom D3_1:

Atom	x	y	z
1	0.28300	0.56600	0.25000
2	0.71700	0.43400	0.75000

Set of atoms in the unit cell related by symmetry with the atom D3_2:

Set of atoms in the unit cell related by symmetry with the atom D4_1:

Atom	x	y	z
1	0.47900	0.95800	0.25000
2	0.52100	0.04200	0.75000

Set of atoms in the unit cell related by symmetry with the atom D4_2:

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	m_x,0,0	1.94(15)	1.94
Fe2_1	Fe	0.83300	0.66600	0.25000	2	m_x,0,0	2.36(8)	2.36
Fe2_2	Fe	0.33400	0.16700	0.25000	4	m_x,m_y,0	2.36(8)	2.36

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