Inorganic Solid Phases

Cs3Bi2I9 Crystal Structure

General Information

  • Phase Label(s): Cs3Bi2I9 rt
  • Structure Class(es): perovskite
  • Classification by Properties: semiconductor
  • Mineral Name(s):
  • Pearson Symbol: hP28
  • Space Group: 194
  • Phase Prototype: Cs3Cr2Cl9
  • Measurement Detail(s): automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): iodide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 588 reflections; F > 3σ(F), R = 0.092; wR = 0.034
  • Sample Detail(s): sample prepared from CsI silicate, BiCl3 silicate, crystal structure determination, single crystal, 0.023×0.064×0.080 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3Bi2I9
  • Alphabetic Formula: Bi2Cs3I9
  • Published Formula: Cs3Bi2I9
  • Refined Formula: Bi2Cs3I9
  • Wyckoff Sequence: 194,khf2b
  • Z Formula Units: 2
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2110044

  • 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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