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,-y,-z,+1	{ -1 \| 0 }
(1/3,2/3,2/3) + set click here to show and hide
3	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
4	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
(2/3,1/3,1/3) + set click here to show and hide
5	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
6	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1

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	0.13840	1.	6	m_x,m_y,m_z	-2.5(1)	0.0	0.0	2.50
Fe1	Fe	0.00000	0.00000	0.34860	0.5	6	m_x,m_y,m_z	3.2(1)	0.0	0.0	3.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sb1	Sb	0.00000	0.00000	0.34860	0.5	6
O1_1	O	0.28970	0.97890	0.25620	1.	6
O1_2	O	0.02110	0.31080	0.25620	1.	6
O1_3	O	0.68920	0.71030	0.25620	1.	6

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	0.13840	m_x,m_y,m_z	-2.50000	0.00000	0.00000
2	0.00000	0.00000	0.86160	m_x,m_y,m_z	-2.50000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.80507	m_x,m_y,m_z	-2.50000	0.00000	0.00000
4	0.33333	0.66667	0.52827	m_x,m_y,m_z	-2.50000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.47173	m_x,m_y,m_z	-2.50000	0.00000	0.00000
6	0.66667	0.33333	0.19493	m_x,m_y,m_z	-2.50000	0.00000	0.00000

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	0.34860	m_x,m_y,m_z	3.20000	0.00000	0.00000
2	0.00000	0.00000	0.65140	m_x,m_y,m_z	3.20000	0.00000	0.00000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.01527	m_x,m_y,m_z	3.20000	0.00000	0.00000
4	0.33333	0.66667	0.31807	m_x,m_y,m_z	3.20000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.68193	m_x,m_y,m_z	3.20000	0.00000	0.00000
6	0.66667	0.33333	0.98473	m_x,m_y,m_z	3.20000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Atom	x	y	z
1	0.00000	0.00000	0.34860
2	0.00000	0.00000	0.65140
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.01527
4	0.33333	0.66667	0.31807
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.68193
6	0.66667	0.33333	0.98473

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

Atom	x	y	z
1	0.28970	0.97890	0.25620
2	0.71030	0.02110	0.74380
(1/3,2/3,2/3) + set click here to show and hide
3	0.62303	0.64557	0.92287
4	0.04363	0.68777	0.41047
(2/3,1/3,1/3) + set click here to show and hide
5	0.95637	0.31223	0.58953
6	0.37697	0.35443	0.07713

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

Atom	x	y	z
1	0.02110	0.31080	0.25620
2	0.97890	0.68920	0.74380
(1/3,2/3,2/3) + set click here to show and hide
3	0.35443	0.97747	0.92287
4	0.31223	0.35587	0.41047
(2/3,1/3,1/3) + set click here to show and hide
5	0.68777	0.64413	0.58953
6	0.64557	0.02253	0.07713

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.68920	0.71030	0.25620
2	0.31080	0.28970	0.74380
(1/3,2/3,2/3) + set click here to show and hide
3	0.02253	0.37697	0.92287
4	0.64413	0.95637	0.41047
(2/3,1/3,1/3) + set click here to show and hide
5	0.35587	0.04363	0.58953
6	0.97747	0.62303	0.07713

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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	0.13840	1.	6	m_x,m_y,m_z	-2.5(1)	0.0	0.0	2.50
Fe1	Fe	0.00000	0.00000	0.34860	0.5	6	m_x,m_y,m_z	3.2(1)	0.0	0.0	3.20

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