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	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.355080(17)	6	m_x,m_y,m_z	0.781(17)	0.0	4.149(9)	4.22
Fe1_2	Fe	0.00000	0.00000	0.144920	6	m_x,m_y,m_z	-0.781(17)	0.0	-4.149(9)	4.22

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.30602(7)	0.00000	0.25000	6
O1_2	O	0.00000	0.30602	0.25000	6
O1_3	O	0.69398	0.69398	0.25000	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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.35508	m_x,m_y,m_z	0.78100	0.00000	4.14900
2	0.00000	0.00000	0.64492	m_x,m_y,m_z	0.78100	0.00000	4.14900
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.02175	m_x,m_y,m_z	0.78100	0.00000	4.14900
4	0.33333	0.66667	0.31159	m_x,m_y,m_z	0.78100	0.00000	4.14900
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.68841	m_x,m_y,m_z	0.78100	0.00000	4.14900
6	0.66667	0.33333	0.97825	m_x,m_y,m_z	0.78100	0.00000	4.14900

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.14492	m_x,m_y,m_z	-0.78100	0.00000	-4.14900
2	0.00000	0.00000	0.85508	m_x,m_y,m_z	-0.78100	0.00000	-4.14900
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.81159	m_x,m_y,m_z	-0.78100	0.00000	-4.14900
4	0.33333	0.66667	0.52175	m_x,m_y,m_z	-0.78100	0.00000	-4.14900
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.47825	m_x,m_y,m_z	-0.78100	0.00000	-4.14900
6	0.66667	0.33333	0.18841	m_x,m_y,m_z	-0.78100	0.00000	-4.14900

Non-magnetic atoms:

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

Atom	x	y	z
1	0.30602	0.00000	0.25000
2	0.69398	0.00000	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.63935	0.66667	0.91667
4	0.02731	0.66667	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.97269	0.33333	0.58333
6	0.36065	0.33333	0.08333

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

Atom	x	y	z
1	0.00000	0.30602	0.25000
2	0.00000	0.69398	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.97269	0.91667
4	0.33333	0.36065	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.63935	0.58333
6	0.66667	0.02731	0.08333

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

Atom	x	y	z
1	0.69398	0.69398	0.25000
2	0.30602	0.30602	0.75000
(1/3,2/3,2/3) + set click here to show and hide
3	0.02731	0.36065	0.91667
4	0.63935	0.97269	0.41667
(2/3,1/3,1/3) + set click here to show and hide
5	0.36065	0.02731	0.58333
6	0.97269	0.63935	0.08333

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.355080(17)	6	m_x,m_y,m_z	0.781(17)	0.0	4.149(9)	4.22
Fe1_2	Fe	0.00000	0.00000	0.144920	6	m_x,m_y,m_z	-0.781(17)	0.0	-4.149(9)	4.22

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