Lead Hydro Sodalite [Pb2(OH)(H2O)3]2[Al3Si3O12]2: Synthesis and Structure Determination by Combining X-ray Rietveld Refinement,1H MAS NMR FTIR and XANES Spectroscopy

This paper deals with the ab initio structure determination of La1.26 N0.24 Na2.5 O2.54 Zr0.25 triclinic structure having triclinic crystal system via powder X-ray data using the Rietveld refinement method, and with physical properties characterization of a related solid solution at the room temperature structure of three compounds belonging to the Aurivillius family La1.26 N0.24 Na2.5 O2.54 Zr0.25 has been analyzed. La1.26 N0.24 Na2.5 O2.54 Zr0.25 crystallizes in a triclinic crystal system with P-1 space group. The starting material was Na2CO3,Zr(NO3)4 La2O3 for the Zr,La and Na analogues was derived from ab initio methods and refined using the Rietveld refinement method using JANA software package and visualization by Diamond computer program. The cations Na and La are disordered over the Zr sites while the La cation is found exclusively in the layers. The cell parameters are a=4.1040 Å b=9.9102 Å c=17.6117 Å α=98.4299° β=93.4378° γ=92.2041°.The morphology and electrical properties are carried out of cited oxide.

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Synthesis and X-Ray Crystal Structure Determination of Thiotrithiazyl Iododichloride, S4N3ICl2

Zeitschrift für Naturforschung B ◽

10.1515/znb-2002-1208 ◽

2002 ◽

Vol 57 (12) ◽

pp. 1387-1390 ◽

Cited By ~ 4

Author(s):

Stephan H. Irsen ◽

Richard Dronskowski

Keyword(s):

Crystal Structure ◽

Rietveld Refinement ◽

Structure Determination ◽

Crystal Structure Determination ◽

Crystal Chemical ◽

Monoclinic System ◽

X Ray

Thiotrithiazyl iododichloride, S4N3ICl2, has been synthesized from molecular S4N4 and liquid ICl and structurally characterized by an X-ray Rietveld refinement. S4N3ICl2 crystallizes in the monoclinic system (P21/c, a = 611.548(7), b = 877.336(8), c = 1770.12(2) pm, β = 92.3357(7)°, Z = 4), follows the crystal-chemical motif (S4N3+)(ClICl−), and is thus isotypic with (S4N3+ )(Br3− ). The crystal structure contains a planar S4N3+ ring and a linear ClICl− unit.

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A study on α-RuCl3 crystal structure by scanning tunneling microscopy

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100152124 ◽

1989 ◽

Vol 47 ◽

pp. 30-31

Author(s):

H.-J. Cantow ◽

H. Hillebrecht ◽

S. Magonov ◽

H. W. Rotter ◽

G. Thiele

Keyword(s):

Crystal Structure ◽

Density Distribution ◽

Scanning Tunneling Microscopy ◽

Electron Density ◽

Structure Determination ◽

Electron Density Distribution ◽

Scanning Tunneling ◽

Monoclinic Space Group ◽

Tunneling Microscopy ◽

X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

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