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

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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 }

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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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.86830	0.60520	0.37330	8	m_x,m_y,m_z	0.0	0.0	3.11(5)	3.11

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.47500	0.72590	0.36600	8
Li2	Li	0.70200	0.55100	0.63310	8
S1	S	0.65900	0.81300	0.51010	8
S2	S	0.57390	0.43070	0.27370	8
O1	O	0.50170	0.79830	0.52390	8
O2	O	0.70730	0.96790	0.49450	8
O3	O	0.69340	0.73100	0.41860	8
O4	O	0.74420	0.75420	0.59360	8
O5	O	0.47880	0.49930	0.34880	8
O6	O	0.52280	0.46230	0.17250	8
O7	O	0.57520	0.26600	0.27470	8
O8	O	0.72390	0.48610	0.27610	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.86830	0.60520	0.37330	m_x,m_y,m_z	3.11000
2	0.36830	0.89480	0.62670	m_x,-m_y,-m_z	-3.11000
3	0.13170	0.10520	0.12670	-m_x,m_y,-m_z	-3.11000
4	0.63170	0.39480	0.87330	-m_x,-m_y,m_z	3.11000
5	0.13170	0.39480	0.62670	-m_x,-m_y,-m_z	-3.11000
6	0.63170	0.10520	0.37330	-m_x,m_y,m_z	3.11000
7	0.86830	0.89480	0.87330	m_x,-m_y,m_z	3.11000
8	0.36830	0.60520	0.12670	m_x,m_y,-m_z	-3.11000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.47500	0.72590	0.36600
2	0.97500	0.77410	0.63400
3	0.52500	0.22590	0.13400
4	0.02500	0.27410	0.86600
5	0.52500	0.27410	0.63400
6	0.02500	0.22590	0.36600
7	0.47500	0.77410	0.86600
8	0.97500	0.72590	0.13400

Set of atoms in the unit cell related by symmetry with the atom Li2:

Atom	x	y	z
1	0.70200	0.55100	0.63310
2	0.20200	0.94900	0.36690
3	0.29800	0.05100	0.86690
4	0.79800	0.44900	0.13310
5	0.29800	0.44900	0.36690
6	0.79800	0.05100	0.63310
7	0.70200	0.94900	0.13310
8	0.20200	0.55100	0.86690

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

Atom	x	y	z
1	0.65900	0.81300	0.51010
2	0.15900	0.68700	0.48990
3	0.34100	0.31300	0.98990
4	0.84100	0.18700	0.01010
5	0.34100	0.18700	0.48990
6	0.84100	0.31300	0.51010
7	0.65900	0.68700	0.01010
8	0.15900	0.81300	0.98990

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

Atom	x	y	z
1	0.57390	0.43070	0.27370
2	0.07390	0.06930	0.72630
3	0.42610	0.93070	0.22630
4	0.92610	0.56930	0.77370
5	0.42610	0.56930	0.72630
6	0.92610	0.93070	0.27370
7	0.57390	0.06930	0.77370
8	0.07390	0.43070	0.22630

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

Atom	x	y	z
1	0.50170	0.79830	0.52390
2	0.00170	0.70170	0.47610
3	0.49830	0.29830	0.97610
4	0.99830	0.20170	0.02390
5	0.49830	0.20170	0.47610
6	0.99830	0.29830	0.52390
7	0.50170	0.70170	0.02390
8	0.00170	0.79830	0.97610

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

Atom	x	y	z
1	0.70730	0.96790	0.49450
2	0.20730	0.53210	0.50550
3	0.29270	0.46790	0.00550
4	0.79270	0.03210	0.99450
5	0.29270	0.03210	0.50550
6	0.79270	0.46790	0.49450
7	0.70730	0.53210	0.99450
8	0.20730	0.96790	0.00550

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

Atom	x	y	z
1	0.69340	0.73100	0.41860
2	0.19340	0.76900	0.58140
3	0.30660	0.23100	0.08140
4	0.80660	0.26900	0.91860
5	0.30660	0.26900	0.58140
6	0.80660	0.23100	0.41860
7	0.69340	0.76900	0.91860
8	0.19340	0.73100	0.08140

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

Atom	x	y	z
1	0.74420	0.75420	0.59360
2	0.24420	0.74580	0.40640
3	0.25580	0.25420	0.90640
4	0.75580	0.24580	0.09360
5	0.25580	0.24580	0.40640
6	0.75580	0.25420	0.59360
7	0.74420	0.74580	0.09360
8	0.24420	0.75420	0.90640

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.47880	0.49930	0.34880
2	0.97880	0.00070	0.65120
3	0.52120	0.99930	0.15120
4	0.02120	0.50070	0.84880
5	0.52120	0.50070	0.65120
6	0.02120	0.99930	0.34880
7	0.47880	0.00070	0.84880
8	0.97880	0.49930	0.15120

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1	0.52280	0.46230	0.17250
2	0.02280	0.03770	0.82750
3	0.47720	0.96230	0.32750
4	0.97720	0.53770	0.67250
5	0.47720	0.53770	0.82750
6	0.97720	0.96230	0.17250
7	0.52280	0.03770	0.67250
8	0.02280	0.46230	0.32750

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1	0.57520	0.26600	0.27470
2	0.07520	0.23400	0.72530
3	0.42480	0.76600	0.22530
4	0.92480	0.73400	0.77470
5	0.42480	0.73400	0.72530
6	0.92480	0.76600	0.27470
7	0.57520	0.23400	0.77470
8	0.07520	0.26600	0.22530

Set of atoms in the unit cell related by symmetry with the atom O8:

Atom	x	y	z
1	0.72390	0.48610	0.27610
2	0.22390	0.01390	0.72390
3	0.27610	0.98610	0.22390
4	0.77610	0.51390	0.77610
5	0.27610	0.51390	0.72390
6	0.77610	0.98610	0.27610
7	0.72390	0.01390	0.77610
8	0.22390	0.48610	0.22390

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.86830	0.60520	0.37330	8	m_x,m_y,m_z	0.0	0.0	3.11(5)	3.11

[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

Li₂Co(SO₄)₂ (#0.244)

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

Li2Co(SO4)2 (#0.244)

Li₂Co(SO₄)₂ (#0.244)