Determination of the Hydrogen Positions in the Novel Barium Boroarsenate Ba[B2As2O8(OH)2] by Combined Single Crystal X-ray and Powder Neutron Investigations

Mark Weller, Alexandra Lieb

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The boroarsenate Ba[B2As2O8(OH)2] was obtained by the reaction of NH4H2AsO4, B(OH)3 and BaBr2·2H2O in the melt. Ba[B2As2O8(OH)2] was obtained as thin colorless needles, together with spherical crystals of BAsO4 as by-product, grown on a pellet of Ba[BAsO5]. The products could be separated mechanically. For neutron scattering experiments a sample was prepared with 11B(OH)3 as a starting material. The crystal structure of Ba[B2As2O8(OH)2] was determined by single-crystal X-ray diffraction and exhibits a layer structure with an unprecedented layer topology. The exact positions of the hydrogen atoms were determined using combined single-crystal X-ray and powder neutron diffraction investigations. Ba[B2As2O8(OH)2] was further characterized by IR spectroscopy and EDX analysis.
Original languageEnglish
Pages (from-to)1649–1653
JournalZeitschrift für Anorganische und Allgemeine Chemie
Volume643
Issue number21
Early online date7 Nov 2017
DOIs
Publication statusPublished - 17 Nov 2017

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