Inorganic Solid Phases

Ba21M2O5H12+x, x= 4 (M= As) (Ba21As2O5H16) Crystal Structure

General Information

  • Phase Label(s): Ba21As2O5H16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF592
  • Space Group: 227
  • Phase Prototype: Ba21Si2O5H14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydride, oxide
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement on F2; 26 variables; I > 2σ(I), R = 0.0857; wR = 0.1960
  • Sample Detail(s): sample prepared from Ba, As, BaH2, BaO2, amounts of BaO2 and BaH2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba21As2O5H16
  • Alphabetic Formula: As2Ba21H16O5
  • Published Formula: Ba21M2O5H12+x, x= 4 (M= As)
  • Refined Formula: As2Ba21H12O5
  • Wyckoff Sequence: 227,g3fecba
  • Z Formula Units: 8
  • Density: ρ = 5.02 Mg·m−3

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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1142149

  • 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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