MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

[Hide]

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 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

[Hide]

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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.0	4.32(3)	0.0	4.32

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.00000	0.64700	0.25000	4
F1	F	0.00000	0.16700	0.25000	4
O1	O	0.33800	0.01600	0.08400	8
O2	O	0.41200	0.26400	0.34600	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,m_y,m_z	0.00000	4.32000	0.00000
2	0.75000	0.25000	0.00000	m_x,-m_y,m_z	0.00000	-4.32000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	4.32000	0.00000
4	0.25000	0.75000	0.00000	m_x,-m_y,m_z	0.00000	-4.32000	0.00000

Atom	x	y	z
1	0.00000	0.64700	0.25000
2	0.00000	0.35300	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.14700	0.25000
4	0.50000	0.85300	0.75000

Atom	x	y	z
1	0.00000	0.16700	0.25000
2	0.00000	0.83300	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.66700	0.25000
4	0.50000	0.33300	0.75000

Atom	x	y	z
1	0.33800	0.01600	0.08400
2	0.66200	0.98400	0.91600
3	0.66200	0.01600	0.41600
4	0.33800	0.98400	0.58400
(1/2,1/2,0) + set click here to show and hide
5	0.83800	0.51600	0.08400
6	0.16200	0.48400	0.91600
7	0.16200	0.51600	0.41600
8	0.83800	0.48400	0.58400

Atom	x	y	z
1	0.41200	0.26400	0.34600
2	0.58800	0.73600	0.65400
3	0.58800	0.26400	0.15400
4	0.41200	0.73600	0.84600
(1/2,1/2,0) + set click here to show and hide
5	0.91200	0.76400	0.34600
6	0.08800	0.23600	0.65400
7	0.08800	0.76400	0.15400
8	0.91200	0.23600	0.84600

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.50000	4	m_x,m_y,m_z	0.0	4.32(3)	0.0	4.32

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.50000	m_x,m_y,m_z	0.00000	4.32000	0.00000
2	0.75000	0.25000	0.00000	m_x,-m_y,m_z	0.00000	-4.32000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	4.32000	0.00000
4	0.25000	0.75000	0.00000	m_x,-m_y,m_z	0.00000	-4.32000	0.00000

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