MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
3	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
4	-x,-y,-z,-1	{ -1' \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,y,-z,-1	2'₀₁₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.25770	0.01330	0.21920	4
Ge1	Ge	0.04743	0.34380	0.27560	4
Ge2	Ge	0.55471	0.84180	0.22900	4
O11	O	0.85740	0.33270	0.17320	4
O12	O	0.36410	0.83110	0.10410	4
O21	O	0.11460	0.52620	0.28390	4
O22	O	0.63120	0.00650	0.38720	4
O31	O	0.11750	0.29110	0.60970	4
O32	O	0.61390	0.68800	0.45470	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.25130	0.65910	0.21210	m_x,m_y,m_z	2.41000	1.24000
2	0.25130	0.84090	0.71210	-m_x,m_y,-m_z	-2.41000	-1.24000
3	0.74870	0.15910	0.28790	m_x,-m_y,m_z	2.41000	1.24000
4	0.74870	0.34090	0.78790	-m_x,-m_y,-m_z	-2.41000	-1.24000

Atom	x	y	z
1	0.25770	0.01330	0.21920
2	0.25770	0.48670	0.71920
3	0.74230	0.51330	0.28080
4	0.74230	0.98670	0.78080

Atom	x	y	z
1	0.04743	0.34380	0.27560
2	0.04743	0.15620	0.77560
3	0.95257	0.84380	0.22440
4	0.95257	0.65620	0.72440

Atom	x	y	z
1	0.55471	0.84180	0.22900
2	0.55471	0.65820	0.72900
3	0.44529	0.34180	0.27100
4	0.44529	0.15820	0.77100

Atom	x	y	z
1	0.85740	0.33270	0.17320
2	0.85740	0.16730	0.67320
3	0.14260	0.83270	0.32680
4	0.14260	0.66730	0.82680

Atom	x	y	z
1	0.36410	0.83110	0.10410
2	0.36410	0.66890	0.60410
3	0.63590	0.33110	0.39590
4	0.63590	0.16890	0.89590

Atom	x	y	z
1	0.11460	0.52620	0.28390
2	0.11460	0.97380	0.78390
3	0.88540	0.02620	0.21610
4	0.88540	0.47380	0.71610

Atom	x	y	z
1	0.63120	0.00650	0.38720
2	0.63120	0.49350	0.88720
3	0.36880	0.50650	0.11280
4	0.36880	0.99350	0.61280

Atom	x	y	z
1	0.11750	0.29110	0.60970
2	0.11750	0.20890	0.10970
3	0.88250	0.79110	0.89030
4	0.88250	0.70890	0.39030

Atom	x	y	z
1	0.61390	0.68800	0.45470
2	0.61390	0.81200	0.95470
3	0.38610	0.18800	0.04530
4	0.38610	0.31200	0.54530

Reference: G. Nenert, M. Isobe, I. Kim, C. Ritter, C.V. Colin, A.N. Vasiliev, K.H. Kim and Y. Ueda, Physical Review B (2010) 82 024429.
DOI: 10.1103/physrevb.82.024429
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/c (#14)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 4.8 K
Experiment Temperature: 1.7 K

Lattice parameters of the magnetic unit cell:
9.79040 8.71590 5.33640 90.00 108.93 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c (#14.77) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.25130	0.65910	0.21210	4	m_x,m_y,m_z	2.41(3)	0.0	1.24(7)	2.33

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.25130	0.65910	0.21210	m_x,m_y,m_z	2.41000	1.24000
2	0.25130	0.84090	0.71210	-m_x,m_y,-m_z	-2.41000	-1.24000
3	0.74870	0.15910	0.28790	m_x,-m_y,m_z	2.41000	1.24000
4	0.74870	0.34090	0.78790	-m_x,-m_y,-m_z	-2.41000	-1.24000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	3

Comments:

NPD
positions atructure from 10K eperiment
Spin orientation in the paper figure is inconsistent with the spin component values given in the text. The spin component values have been assumed correct.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)

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

LiCrGe2O6 (#0.217)

LiCrGe₂O₆ (#0.217)