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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-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	Fe	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	1.73(5)	-2.73(4)	1.36(5)	3.78
Fe2	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-1.73	2.73	-1.36	3.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.13500	0.31700	0.75700	8
S1	S	0.16220	0.31905	0.24950	8
O1	O	0.29880	0.37345	0.41190	8
O2	O	0.05315	0.32035	0.34480	8
O3	O	0.15990	0.17820	0.14580	8
O4	O	0.13950	0.38540	0.10160	8
F1	F	0.06295	0.45720	0.75520	8

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	0.50000	m_x,m_y,m_z	1.73000	-2.73000	1.36000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.50000	m_x,m_y,m_z	1.73000	-2.73000	1.36000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.73000	2.73000	-1.36000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.50000	-m_x,-m_y,-m_z	-1.73000	2.73000	-1.36000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-1.73000	2.73000	-1.36000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,m_y,m_z	-1.73000	2.73000	-1.36000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	1.73000	-2.73000	1.36000
(0,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.00000	-m_x,-m_y,-m_z	1.73000	-2.73000	1.36000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.13500	0.31700	0.75700
2	0.86500	0.68300	0.24300
(1/2,1/2,0) + set click here to show and hide
3	0.63500	0.81700	0.75700
4	0.36500	0.18300	0.24300
(1/2,0,0)' + set click here to show and hide
5	0.63500	0.31700	0.75700
6	0.36500	0.68300	0.24300
(0,1/2,0)' + set click here to show and hide
7	0.13500	0.81700	0.75700
8	0.86500	0.18300	0.24300

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.16220	0.31905	0.24950
2	0.83780	0.68095	0.75050
(1/2,1/2,0) + set click here to show and hide
3	0.66220	0.81905	0.24950
4	0.33780	0.18095	0.75050
(1/2,0,0)' + set click here to show and hide
5	0.66220	0.31905	0.24950
6	0.33780	0.68095	0.75050
(0,1/2,0)' + set click here to show and hide
7	0.16220	0.81905	0.24950
8	0.83780	0.18095	0.75050

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

Atom	x	y	z
1	0.29880	0.37345	0.41190
2	0.70120	0.62655	0.58810
(1/2,1/2,0) + set click here to show and hide
3	0.79880	0.87345	0.41190
4	0.20120	0.12655	0.58810
(1/2,0,0)' + set click here to show and hide
5	0.79880	0.37345	0.41190
6	0.20120	0.62655	0.58810
(0,1/2,0)' + set click here to show and hide
7	0.29880	0.87345	0.41190
8	0.70120	0.12655	0.58810

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

Atom	x	y	z
1	0.05315	0.32035	0.34480
2	0.94685	0.67965	0.65520
(1/2,1/2,0) + set click here to show and hide
3	0.55315	0.82035	0.34480
4	0.44685	0.17965	0.65520
(1/2,0,0)' + set click here to show and hide
5	0.55315	0.32035	0.34480
6	0.44685	0.67965	0.65520
(0,1/2,0)' + set click here to show and hide
7	0.05315	0.82035	0.34480
8	0.94685	0.17965	0.65520

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

Atom	x	y	z
1	0.15990	0.17820	0.14580
2	0.84010	0.82180	0.85420
(1/2,1/2,0) + set click here to show and hide
3	0.65990	0.67820	0.14580
4	0.34010	0.32180	0.85420
(1/2,0,0)' + set click here to show and hide
5	0.65990	0.17820	0.14580
6	0.34010	0.82180	0.85420
(0,1/2,0)' + set click here to show and hide
7	0.15990	0.67820	0.14580
8	0.84010	0.32180	0.85420

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

Atom	x	y	z
1	0.13950	0.38540	0.10160
2	0.86050	0.61460	0.89840
(1/2,1/2,0) + set click here to show and hide
3	0.63950	0.88540	0.10160
4	0.36050	0.11460	0.89840
(1/2,0,0)' + set click here to show and hide
5	0.63950	0.38540	0.10160
6	0.36050	0.61460	0.89840
(0,1/2,0)' + set click here to show and hide
7	0.13950	0.88540	0.10160
8	0.86050	0.11460	0.89840

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.06295	0.45720	0.75520
2	0.93705	0.54280	0.24480
(1/2,1/2,0) + set click here to show and hide
3	0.56295	0.95720	0.75520
4	0.43705	0.04280	0.24480
(1/2,0,0)' + set click here to show and hide
5	0.56295	0.45720	0.75520
6	0.43705	0.54280	0.24480
(0,1/2,0)' + set click here to show and hide
7	0.06295	0.95720	0.75520
8	0.93705	0.04280	0.24480

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	1.73(5)	-2.73(4)	1.36(5)	3.78
Fe2	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	-1.73	2.73	-1.36	3.78

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