Rb2P2S6 – A New Alkali Thiophosphate: Crystal Structure and Vibrational Spectra of Rubidium Hexathiodiphosphate(V)

2006 ◽  
Vol 61 (9) ◽  
pp. 1049-1053 ◽  
Author(s):  
Mimoza Gjikaj ◽  
Claus Ehrhardt ◽  
Wolfgang Brockner
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Group Analysis ◽  
Factor Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Ft Ir ◽  
Fir Spectra ◽  
Ft Raman

Abstract Single crystals of rubidium hexathiodiphosphate(V), Rb2P2S6, have been obtained and investigated by single crystal X-ray diffraction, and IR/FIR and Raman spectroscopy. The title compound crystallizes isotypically to the potassium, caesium and thallium analogues in the orthorhombic space group Immm (no. 71) with a = 8.485(3), b= 6.953(3), c =9.259(3 Å , and Z = 2, final R1= 0.0579 and wR2 = 0.0987. The crystal structure is characterized by discrete [P2S6]2− anions (edge-sharing double-tetrahedra) with D2h symmetry. Rubidium is coordinated by ten sulfur atoms forming a slightly distorted two-capped tetragonal prism with a coordination number CNRb 10. The FT-Raman and FT-IR/FIR spectra have been recorded and a factor group analysis was carried out.

scholarly journals Vibrational Study, Reinvestigation of the Crystal Structure of MgHPO4.3H2O and Calculated IR Frequencies for the PO43- by Isotopic Substitutions

2021 ◽  
Vol 12 (3) ◽  
pp. 4140-4154
Keyword(s):  
Crystal Structure ◽  
Group Analysis ◽  
Factor Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Vibrational Study ◽  
Ir Frequencies

The monohydrogenomonophosphatetrihydrate of magnesium MgHPO4.3H2O was reinvestigated by X-ray diffraction, vibrational spectroscopy, nuclear magnetic resonance and calculation of the IR frequencies by using isotopic substitutions. MgHPO4.3H2O is orthorhombic, space group Pbca with the following unit-cell parameters: a = 10.0133(2) Å, b= 10.2136(1) Å, c =10.6853(2) Å, Z = 8 and V = 1092.81(3) Å3. Raman and infrared spectra of MgHPO4.3H2O have been recorded and interpreted on the basis of factor group analysis. The occurrence of the four frequencies ν1, v2, v3, v4 in the vibrational spectra confirms the existence of the PO43− tetrahedron.

scholarly journals Fabrication, Characterization, and Antimicrobial Activity, Evaluation of Low Silver Concentrations in Silver-Doped Hydroxyapatite Nanoparticles

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
A. Costescu ◽  
C. S. Ciobanu ◽  
S. L. Iconaru ◽  
R. V. Ghita ◽  
C. M. Chifiriuc ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Raman Spectroscopy ◽  
Hydroxyl Groups ◽  
Major Public Health Problem ◽  
Hydroxyapatite Nanoparticles ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Raman Spectroscopy ◽  
Ft Ir ◽  
Ft Raman

The aim of this study was the evaluation of(Ca10-xAgx)(PO4)6(OH)2nanoparticles (Ag:HAp-NPs) for their antibacterial and antifungal activity. Resistance to antimicrobial agents by pathogenic bacteria has emerged in the recent years as a major public health problem worldwide. In this paper, we report a comparison of the antimicrobial activity of low concentrations silver-doped hydroxyapatite nanoparticles. The silver-doped nanocrystalline hydroxyapatite powder was synthesized at 100°C in deionised water. The as-prepared Ag:Hap nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), FT-IR, and FT-Raman spectroscopy. X-ray diffraction (XRD) studies demonstrate that powders obtained by coprecipitation at 100°C exhibit the apatite characteristics with good crystal structure, without any new phase or impurities found. FT-IR and FT-Raman spectroscopy revealed the presence of the various vibrational modes corresponding to phosphates and hydroxyl groups and the absence of any band characteristic to silver. The specific microbiological assays demonstrated that Ag:HAp-NPs exhibited antimicrobial features, but interacted differently with the Gram-positive, Gram-negative bacterial and fungal tested strains.

The preparation, X-ray crystal structure, and spectroscopic characterization of pentafluorophenyl-bis(pentafluorophenylthio)sulfonium hexafluoroarsenate, [(C6F5S)2SC6F5][AsF6]

1998 ◽  
Vol 76 (7) ◽  
pp. 1050-1059 ◽  
Author(s):  
Scott Brownridge ◽  
T Stanley Cameron ◽  
Jack Passmore ◽  
Gabriele Schatte ◽  
George W Sutherland
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Room Temperature ◽  
Spectroscopic Characterization ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Ft Raman Spectroscopy ◽  
Ft Raman

Pentafluorophenyl-bis(pentafluorophenylthio)sulfonium hexafluoroarsenate, [(C6F5S)2SC6F5][AsF6], was prepared by the reaction of (C6F5)2S2 and AsF5 in liquid SO2 at room temperature. The compound has been characterized by single-crystal X-ray and powder diffraction, and IR and FT-Raman spectroscopy. Crystals of [(C6F5S)2SC6F5][AsF6] are orthorhombic, space group P212121 (cell dimensions measured at room temperature in brackets): a = 13.132(3) [13.157(2)] Å, b = 21.477(4) [21.575(3)] Å, c = 8.770(2) [8.775(1)] Å, α = ß = γ = 90.00°; V = 2473.3(9) Å3, Z = 4, temperature = 181 ± 1 K. The structure consists of [AsF6]- anions and [(C6F5S)2SC6F5]+ cations that have a different structure than the related [X2MMMX]+ cations (M = S, Se; X = Cl, Br), which contain a trichalcogen chain with a pronounced chalcogen-chalcogen bond alternation. Ab initio calculations suggest the observed [(C6F5S)2SC6F5]+ geometry is due to steric and solid state effects. Comparison of the Raman spectra of [(C6F5)S2SC6F5][AsF6], [Cl2SSSCl][AsF6], and [(CH3)2ClS3]+ implies that [(CH3)2ClS3]+ has a structure with equal sulfur-sulfur distances, and therefore the structure is likely [(CH3S)2SCl]+ and probably not the previously reported [(CH3)2SSSCl]+.Key words: [R3X3]+ cations, X-ray crystal structure, FT-Raman spectroscopy, [(C6F5S)2SC6F5]+, pentafluorophenyl-bis(pentafluorophenylthio)sulfonium cation, hexafluoroarsenate.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

The molecular and crystal structure of [Pt(diethylenetriamine)(guanosine)](ClO4)2

1979 ◽  
Vol 57 (1) ◽  
pp. 57-61 ◽  
Author(s):  
R. Melanson ◽  
F. D. Rochon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Least Squares ◽  
Platinum Atom ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
R Factor ◽  
Square Planar ◽  
Coordination Plane

The crystal structure of [Pt(diethylenetriamine)(guanosine)](ClO4)2 has been determined by X-ray diffraction. The crystals are orthorhombic, space group P212121, with a = 12.486(6), b = 13.444(7), c = 14.678(11) Å, and Z = 4. The structure was refined by block-diagonal least-squares analysis to a conventional R factor of 0.050 and a weighted Rw = 0.045.The coordination around the platinum atom is square planar. Guanosine is bonded to platinum through N(7). The purine planar ring makes an angle of 62.7° with the platinum coordination plane. The structure is stabilized by hydrogen bonding.

Determination of the Crystal Structure and Redefinition of Tsugaruite, Pb28As15S50Cl, the First Lead-Arsenic Chloro-Sulfosalt

2020 ◽  
Author(s):  
Cristian Biagioni ◽  
Luca Bindi ◽  
Koichi Momma ◽  
Ritsuro Miyawaki ◽  
Yoshitaka Matsushita ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Atomic Ratio ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Specific Position ◽  
Actual Classification ◽  
Aomori Prefecture

Abstract Tsugaruite was originally defined as a lead-arsenic sulfosalt from the Yunosawa mine, Aomori Prefecture, Japan. Until recently its crystal structure remained unsolved and its actual classification in the sulfosalt realm was unknown. Here the refinement of the crystal structure of tsugaruite using single-crystal X-ray diffraction data is reported. The mineral is orthorhombic, space group P2nn, with unit-cell parameters a = 8.0774(10), b = 15.1772(16), c = 38.129(4) Å, V = 4674.3(9) Å3, in agreement with previous studies. The solution of the crystal structure of this mineral revealed Cl occupying a specific position. Chlorine was thus sought and found using the electron microprobe; the average of six spot analyses gave (in wt.%): Pb 68.04, As 12.83, S 18.29, Cl 0.63, total 99.80. The empirical formula, calculated on the basis of Pb + As = 43 atoms per formula unit, is Pb28.26As14.74S49.08Cl1.52. Tsugaruite is an N = 4 plesiotypic derivative of the homologous series of Pb-Sb chloro-sulfosalts having the general formula Pb(2+2N)(Sb,Pb)(2+2N)S(2+2N)(S,Cl)(4+2N)ClN. It has a Cl/(Cl + S) atomic ratio close to that of other known Pb-Sb chloro-sulfosalts (pillaite, pellouxite) and slightly higher than that of dadsonite.

Pyridin-Addukte von Cyclothiazeno-Vanadiumdichlorid Die Kristallstruktur von [VCl2(N3S2)(C5H5N)] / Pyridine Adducts of Cyclo-thiazeno Vanadium Dichloride The Crystal Structure of [VCl2(N3S2)(C5H5N)]

1985 ◽  
Vol 40 (12) ◽  
pp. 1631-1637 ◽  
Author(s):  
Ruth Christophersen ◽  
Paul Klingelhöfer ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Chlorine Atom ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Independent Molecules

Abstract The pyridine complexes of cyclo-thiazeno vanadium dichloride, [VCl2(N3S2)py] and [VCl2(N3S2)(py)2] were synthesized by reactions of polymeric VCl2(N3S2) with varying amounts of pyridine in CH2Cl2. The compounds were characterized by their IR spectra as well as by their 51V NM R spectra. The crystal structure of [VCl2(N3S2)(C5H5N)] was determined by means of X-ray diffraction (1582 independent observed reflexions, R = 0.031). Crystal data: orthorhombic, space group Pnma, a = 1372, b - 2261, c - 1068 pm, Z = 12. In the lattice there are two monomeric, crystallographically independent molecules [VCl2(N3S2)(C5H5N)], which differ only slightly. The vanadium atoms have a trigonal bipyramidal coordination with the N atom of the pyridine molecule and one chlorine atom in apical positions, and with one chlorine atom and the N atoms of the cyclo-thiazeno ligand in equatorial positions. The VN bond lengths of the planar VN3S2 ring of 174 pm correspond to double bonds

The X-Ray Crystal Structure of 1,2-3,4-Di-O-isopropylidene-4-C-methylthiomethoxy-β-L-arabino-hexoseptanos-5-ulose

1990 ◽  
Vol 43 (12) ◽  
pp. 2083 ◽  
Author(s):  
DC Craig ◽  
VJ James ◽  
JD Stevens
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound (1) has been determined by X-ray diffraction. Crystals of (1) are orthorhombic, space group P21212 with a 11.425(1), b 24.916(1), c 5.8952(3)Ǻ, Z 4. Refinement on 1675 observed reflections measured with Cu Kα radiation converged at R 0.034. The seven- membered ring adopts a boat conformation in which the pseudo plane of symmetry passes through the ring oxygen.

scholarly journals The preparation and characterization of SeCl3SbF6, improved syntheses of MCl3(As/Sb)F6 (M = S, Se), and the X-ray crystal structure determination of SeCl3AsF6 and a new phase of SBr3SbF6

1996 ◽  
Vol 74 (9) ◽  
pp. 1671-1681 ◽  
Author(s):  
Jack Passmore ◽  
Paul D. Boyle ◽  
Gabriele Schatte ◽  
Todd Way ◽  
T. Stanley Cameron
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Ft Raman Spectroscopy ◽  
New Phase ◽  
Ft Raman

Alternative and, in some cases, improved syntheses of the salts MX3(As/Sb)F6 (M = S, Se) and SCl3(SbCl6/AlCl4) are described. In addition, the synthesis of SeCl3SbF6 is reported. The compounds were characterized by FT–Raman spectroscopy and the X-ray crystal structures of SeCl3AsF6 (also 77Se NMR) and a new phase of SBr3SbF6 were determined. Crystals of SeCl3AsF6 and SBr3SbF6 are monoclinic, space group P21/c with [values for SBr3SbF6 in brackets] a = 7.678(1) [8.137(1)] Å, b = 9.380(3) [9.583(2)] Å, c = 11.920(3) [12.447(2)] Å, β = 98.19(2)° [97.36(1)]°, V = 849.72(3) [962.6(3)] Å3,z = 4, Dx = 2.925 [3.502] Mg m−3, R = 0.0525 [0.055], and Rw = 0.0554 [0.060] for 1151 [1472] observed reflections. Key words: MX3+ salts, FT–Raman spectroscopy, X-ray crystal structures of SeCl3AsF6, SBr3SbF6, and preparation of SeCl3SbF6.

scholarly journals Darstellung von μ-Nitroso-bis(pentahydro-closo-hexaborat)(3-) und Kristallstruktur von Cs3[B6H5(NO)B6H5] / Preparation of μ-nitroso-bis(pentahydro-closo-hexaborate)(3-) and crystal structure of Cs3[B6H5(NO)B6H5]

1994 ◽  
Vol 49 (9) ◽  
pp. 1263-1266 ◽  
Author(s):  
A. Franken ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Ion Exchange ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Diethylaminoethyl Cellulose

By electrochemical oxidation of [B6H6]2- in the presence of nitrite ions and of the base DBU in dichlorom ethane solution the μ-nitroso-bis(pentahydrohexaborate) [B6H5(NO)B6H5]3- ion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of the Cs salt has been determined from single crystal X-ray diffraction analysis. Cs3[B6H5(NO)B6H5] is orthorhombic, space group Pnma with a = 16.2303(13), b = 12.245(6), c = 25.444(2) Å. The unit cell contains three crystallographically independent anions with nearly C2v symmetry but differently distorted B6 cages

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