Inorganic Solid Phases

(Ba0.75K0.14H0.11)BiO3·nH2O (K0.56[H3O]0.44Ba3Bi4O12) Crystal Structure

General Information

  • Phase Label(s): K0.56[H3O]0.44Ba3Bi4O12
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP40
  • Space Group: 222
  • Phase Prototype: (K0.56[H3O]0.44)Ba3Bi4O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3 reactor, HERMES (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons; λ = 0.181386 nm (determination of structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0598; wRP = 0.0777; RB = 0.0329
  • Sample Detail(s): sample prepared from NaBiO3[H2O]x, Ba[OH]2[H2O]8, KOH, atomic absorption spectroscopy, inductive coupled plasma method, titration; amounts of unidentified phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.56[H3O]0.44Ba3Bi4O12
  • Alphabetic Formula: Ba3Bi4[H3O]0.44K0.56O12
  • Published Formula: (Ba0.75K0.14H0.11)BiO3·nH2O
  • Refined Formula: Ba3Bi4H1.32K0.56O12.44
  • Wyckoff Sequence: 222,hcba
  • Z Formula Units: 2
  • Density: ρ = 7.83 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1629579

  • 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)

  • Cite this content

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