Inorganic Solid Phases

95% deuterated CsH2AsO4 (H0.1D1.9Cs[AsO4] lt, T = 77 K) Crystal Structure

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General Information

  • Phase Label(s): H0.1D1.9Cs[AsO4] lt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oF48
  • Space Group: 43
  • Phase Prototype: H2K[PO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Harwell, Atomic Energy Research Establishment, PLUTO reactor (determination of structural parameters), neutrons; λ = 0.1072(2) nm (determination of cell and structural parameters), T = 77 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 18 variables; 120 reflections, wR = 0.052
  • Sample Detail(s): sample prepared from DCsDA, single crystal (determination of cell parameters), single crystal, 1.5×1.5×4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: D1.9H0.1Cs[AsO4]
  • Alphabetic Formula: [AsO4]CsD1.9H0.1
  • Published Formula: 95% deuterated CsH2AsO4
  • Refined Formula: AsCsD1.90H0.10O4
  • Wyckoff Sequence: 43,b2a2
  • Z Formula Units: 8
  • Density: ρ = 3.64 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1622470

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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