Skip to main content
Journal of Solid State ChemistryVolume 183, Issue 12, December 2010, Pages 2835-2844

A new polymorph of Ba(AsO3OH): Synthesis, crystal structure and vibrational spectra(Article)

  Save all to author list
  • aInstitut Fr Mineralogie und Kristallographie, Geozentrum, Universitt Wien, Althanstrasse 14, A-1090 Wien, Austria
  • bLaboratory of Crystallography, Faculty of Mining and Geology, uina 7, 11000 Belgrade, Serbia

Abstract

A new monoclinic polymorph of Ba(AsO3OH) was synthesized under hydrothermal conditions. It represents a previously unknown structure type. Its crystal structure was determined from a racemic twin using single-crystal X-ray diffraction data collected at 120 and 293 K [space group P21, a=7.2149(14)/7.2370(2), b=7.7028(15)/7.7133(2), c=21.7385(43)/21.8079(5)Å, β=95.95(3)/96.073(1)°, V=1201.6(4)/1210.51(5) Å, Z=12]. The crystal structure of P21-Ba(AsO3OH) has a layered character and is built up of four types of regularly alternating layers parallel to (0 0 1). Every AsO3OH tetrahedron is chelating to two Ba atoms and bridged by another two Ba atoms. Each OH group acts as hydrogen bond donor toward the oxygen atoms positioned in the same or adjacent layers. Although the H atoms could not be located, no ambiguities are present in the hydrogen-bonding scheme. Single-crystal vibrational spectroscopy (FTIR and Raman) was used to describe the vibrational behavior of the hydrogen bond system; particularly the spectroscopic manifestation of the very short and short hydrogen bonds (2.462(7)2.575(7) Å). In order to complement spectroscopic data on protonated orthoarsenates, infrared spectra of triclinic F1̄-Sr(AsO 3OH) and the orthorhombic variety of Pbca-Ba(AsO3OH) were recorded and discussed. Furthermore, structural features of other alkaline earth hydrogen arsenates are discussed. © 2010 ElsevierInc. All rights reserved.

Author keywords

Alkaline earth hydrogen arsenatesBa(AsO3OH)Hydrogen bondsHydrothermal synthesisInfrared spectroscopyRaman spectroscopySingle crystal structure analysis

Indexed keywords

Engineering uncontrolled termsAdjacent layersAlkaline earthAlkaline earth hydrogen arsenatesAlternating layersBa(AsO3OH)FTIRHydrogen bond donorsHydrogen bond systemsHydrogen bondingsHydrothermal conditionsInfrared spectrumK spaceMonoclinic polymorphsOH groupOxygen atomProtonatedSingle crystal structure analysisSingle crystal x-ray diffractionSpectroscopic dataStructural featureStructure typeVibrational behavior
Engineering controlled terms:AtomsBariumHydrogenHydrogen bondsHydrothermal synthesisInfrared spectroscopyOxygenPolymorphismRaman scatteringRaman spectroscopySingle crystalsSpectrum analysisX ray diffraction
Engineering main heading:Crystal structure

Funding details

Funding sponsor Funding number Acronym
Austrian Science FundT300-N19FWF
Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja142030MPNTR
  • 1

    Financial support of the Austrian Science Foundation (FWF) (Grant T300-N19 ) and the Ministry for Science and Technological Development of the Republic of Serbia (Project no. 142030 ) are gratefully acknowledged. The authors are thankful to Prof. Dr. Eugen Libowitzky for helping with the FTIR and Raman analysis. We appreciate the useful comments of the anonymous reviewers, which helped to improve the text of the manuscript.

  • ISSN: 00224596
  • CODEN: JSSCB
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1016/j.jssc.2010.09.027
  • Document Type: Article

  Dordević, T.; Institut Fr Mineralogie und Kristallographie, Geozentrum, Universitt Wien, Althanstrasse 14, Austria;
© Copyright 2010 Elsevier B.V., All rights reserved.

Cited by 17 documents

Makreski, P. , Pejov, L. , Jovanovski, G.
CROSSROADS OF VIBRATIONAL (INFRARED AND RAMAN) SPECTROSCOPY AND X-RAY POWDER DIFFRACTION IN IDENTIFICATION AND CHARACTERIZATION OF SOME MINERALS – ADVANTAGES AND LIMITATIONS. A REVIEW | ВКРСТУВАЊЕ НА ВИБРАЦИСКАТА (ИНФРАЦРВЕНА И РАМАНСКА) СПЕКТРОСКОПИЈА И РЕНДГЕНСКАТА ДИФРАКЦИЈА ОД ПРАШОК ПРИ ИДЕНТИФИКАЦИЈА И КАРАКТЕРИЗАЦИЈА НА НЕКОИ МИНЕРАЛИ – ПРЕДНОСТИ И ОГРАНИЧЕНОСТИ. ПРЕГЛЕДЕН ТРУД
(2024) Macedonian Journal of Chemistry and Chemical Engineering
Ðorđević, T. , Karanović, L. , Jagodič, M.
Water in the alluaudite type-compounds: Synthesis, crystal structure and magnetic properties of co3 (aso4 )0.5+x (haso4 )2−x (h2 aso4 )0.5+x [(h,□)0.5 (h2 o,h3 o)0.5 ]2x+
(2021) Minerals
Sejkora, J. , Plášil, J. , Čejka, J.
Molecular structure of the arsenate mineral chongite from jáchymov – A vibrational spectroscopy study
(2020) Journal of Geosciences (Czech Republic)
View details of all 17 citations
{"topic":{"name":"Tartrate; Single Crystalline Solid; Thermogravimetric Analysis","id":29494,"uri":"Topic/29494","prominencePercentile":19.345997,"prominencePercentileString":"19.346","overallScholarlyOutput":0},"dig":"4851e28d0e572f98b10ab9cdb5b038633a0fa6571b1d2659fc6978587b87519f"}

SciVal Topic Prominence

Topic:
Prominence percentile: