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):

a	b	c
1	0	0	a_p
0	1	0	b_p
0	0	1	c_p

origin shift
0	a_p
0	b_p
0	c_p

[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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
7	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

[Hide]

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,-1	-1'
6	-x,y,z,-1	m'₁₀₀
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe	Fe	0.85910	0.60760	0.37190	8	m_x,m_y,m_z	0.0	0.0	4.12(9)	4.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.44210	0.70210	0.37900	8
S1	S	0.65210	0.81270	0.50610	8
S2	S	0.58150	0.43570	0.27400	8
O11	O	0.49730	0.79300	0.52650	8
O12	O	0.68800	0.97400	0.48810	8
O13	O	0.68950	0.72710	0.41720	8
O14	O	0.74030	0.76640	0.59560	8
O21	O	0.48820	0.49770	0.35300	8
O22	O	0.51990	0.47730	0.17600	8
O23	O	0.58540	0.27010	0.27420	8
O24	O	0.73010	0.49640	0.27750	8

[Show all atoms in unit cell and their moment relations]

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 Fe:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.85910	0.60760	0.37190	m_x,m_y,m_z	4.12000
2	0.35910	0.89240	0.62810	m_x,-m_y,-m_z	-4.12000
3	0.14090	0.10760	0.12810	-m_x,m_y,-m_z	-4.12000
4	0.64090	0.39240	0.87190	-m_x,-m_y,m_z	4.12000
5	0.14090	0.39240	0.62810	-m_x,-m_y,-m_z	-4.12000
6	0.64090	0.10760	0.37190	-m_x,m_y,m_z	4.12000
7	0.85910	0.89240	0.87190	m_x,-m_y,m_z	4.12000
8	0.35910	0.60760	0.12810	m_x,m_y,-m_z	-4.12000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.44210	0.70210	0.37900
2	0.94210	0.79790	0.62100
3	0.55790	0.20210	0.12100
4	0.05790	0.29790	0.87900
5	0.55790	0.29790	0.62100
6	0.05790	0.20210	0.37900
7	0.44210	0.79790	0.87900
8	0.94210	0.70210	0.12100

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

Atom	x	y	z
1	0.65210	0.81270	0.50610
2	0.15210	0.68730	0.49390
3	0.34790	0.31270	0.99390
4	0.84790	0.18730	0.00610
5	0.34790	0.18730	0.49390
6	0.84790	0.31270	0.50610
7	0.65210	0.68730	0.00610
8	0.15210	0.81270	0.99390

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.58150	0.43570	0.27400
2	0.08150	0.06430	0.72600
3	0.41850	0.93570	0.22600
4	0.91850	0.56430	0.77400
5	0.41850	0.56430	0.72600
6	0.91850	0.93570	0.27400
7	0.58150	0.06430	0.77400
8	0.08150	0.43570	0.22600

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.49730	0.79300	0.52650
2	0.99730	0.70700	0.47350
3	0.50270	0.29300	0.97350
4	0.00270	0.20700	0.02650
5	0.50270	0.20700	0.47350
6	0.00270	0.29300	0.52650
7	0.49730	0.70700	0.02650
8	0.99730	0.79300	0.97350

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.68800	0.97400	0.48810
2	0.18800	0.52600	0.51190
3	0.31200	0.47400	0.01190
4	0.81200	0.02600	0.98810
5	0.31200	0.02600	0.51190
6	0.81200	0.47400	0.48810
7	0.68800	0.52600	0.98810
8	0.18800	0.97400	0.01190

Set of atoms in the unit cell related by symmetry with the atom O13:

Atom	x	y	z
1	0.68950	0.72710	0.41720
2	0.18950	0.77290	0.58280
3	0.31050	0.22710	0.08280
4	0.81050	0.27290	0.91720
5	0.31050	0.27290	0.58280
6	0.81050	0.22710	0.41720
7	0.68950	0.77290	0.91720
8	0.18950	0.72710	0.08280

Set of atoms in the unit cell related by symmetry with the atom O14:

Atom	x	y	z
1	0.74030	0.76640	0.59560
2	0.24030	0.73360	0.40440
3	0.25970	0.26640	0.90440
4	0.75970	0.23360	0.09560
5	0.25970	0.23360	0.40440
6	0.75970	0.26640	0.59560
7	0.74030	0.73360	0.09560
8	0.24030	0.76640	0.90440

Set of atoms in the unit cell related by symmetry with the atom O21:

Atom	x	y	z
1	0.48820	0.49770	0.35300
2	0.98820	0.00230	0.64700
3	0.51180	0.99770	0.14700
4	0.01180	0.50230	0.85300
5	0.51180	0.50230	0.64700
6	0.01180	0.99770	0.35300
7	0.48820	0.00230	0.85300
8	0.98820	0.49770	0.14700

Set of atoms in the unit cell related by symmetry with the atom O22:

Atom	x	y	z
1	0.51990	0.47730	0.17600
2	0.01990	0.02270	0.82400
3	0.48010	0.97730	0.32400
4	0.98010	0.52270	0.67600
5	0.48010	0.52270	0.82400
6	0.98010	0.97730	0.17600
7	0.51990	0.02270	0.67600
8	0.01990	0.47730	0.32400

Set of atoms in the unit cell related by symmetry with the atom O23:

Atom	x	y	z
1	0.58540	0.27010	0.27420
2	0.08540	0.22990	0.72580
3	0.41460	0.77010	0.22580
4	0.91460	0.72990	0.77420
5	0.41460	0.72990	0.72580
6	0.91460	0.77010	0.27420
7	0.58540	0.22990	0.77420
8	0.08540	0.27010	0.22580

Set of atoms in the unit cell related by symmetry with the atom O24:

Atom	x	y	z
1	0.73010	0.49640	0.27750
2	0.23010	0.00360	0.72250
3	0.26990	0.99640	0.22250
4	0.76990	0.50360	0.77750
5	0.26990	0.50360	0.72250
6	0.76990	0.99640	0.27750
7	0.73010	0.00360	0.77750
8	0.23010	0.49640	0.22250

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe	Fe	0.85910	0.60760	0.37190	8	m_x,m_y,m_z	0.0	0.0	4.12(9)	4.12

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	3

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

LiFe(SO₄)₂ (#0.246)

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

LiFe(SO4)2 (#0.246)

LiFe(SO₄)₂ (#0.246)