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

doi:10.1002/zaac.201700226

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

Otto-von-Guericke-Universität Magdeburg

Research output: Contribution to journal › Article › peer-review

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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 language	English
Pages (from-to)	1649–1653
Journal	Zeitschrift für Anorganische und Allgemeine Chemie
Volume	643
Issue number	21
Early online date	7 Nov 2017
DOIs	https://doi.org/10.1002/zaac.201700226
Publication status	Published - 17 Nov 2017

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

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.",

author = "Mark Weller and Alexandra Lieb",

year = "2017",

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doi = "10.1002/zaac.201700226",

language = "English",

volume = "643",

pages = "1649–1653",

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T1 - Determination of the Hydrogen Positions in the Novel Barium Boroarsenate Ba[B2As2O8(OH)2] by Combined Single Crystal X-ray and Powder Neutron Investigations

AU - Weller, Mark

AU - Lieb, Alexandra

PY - 2017/11/17

Y1 - 2017/11/17

N2 - 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.

AB - 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.

U2 - 10.1002/zaac.201700226

DO - 10.1002/zaac.201700226

M3 - Article

SN - 0044-2313

VL - 643

SP - 1649

EP - 1653

JO - Zeitschrift für Anorganische und Allgemeine Chemie

JF - Zeitschrift für Anorganische und Allgemeine Chemie

IS - 21

ER -

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

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