Inorganic Solid Phases

[K1.14Bi(III)0.37][Bi(III)0.27Bi(V)1.73][O4.9OH1.1]OH0.8 (K0.57Bi1.185O2.45[OH]0.95) Crystal Structure

General Information

  • Phase Label(s): K0.57Bi1.185O2.45[OH]0.95
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF112
  • Space Group: 227
  • Phase Prototype: K0.6Bi1.2O2.5[OH]0.9
  • Measurement Detail(s): Guinier-de Wolff film (determination of cell parameters), manual diffractometer; Siemens (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters), T = 298 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.039
  • Sample Detail(s): chemical analysis; 55.3 at.% Bi(V), 20.65 at.% Bi(III), 10.13 at.% O, 6.85 at.% K, 4.24 at.% active O, 2.67 at.% H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.57Bi1.185O2.45[OH]0.95
  • Alphabetic Formula: Bi1.185K0.57O2.45[OH]0.95
  • Published Formula: [K1.14Bi(III)0.37][Bi(III)0.27Bi(V)1.73][O4.9OH1.1]OH0.8
  • Refined Formula: Bi1.18H0.95K0.57O3.40
  • Wyckoff Sequence: 227,fedc
  • Z Formula Units: 16
  • Density: ρ = 6.56 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_1252713

  • 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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