Inorganic Solid Phases

Ba1−xKxVSe3, x= 0.5 (K0.5Ba0.5VSe3) Crystal Structure

General Information

  • Phase Label(s): K0.5Ba0.5VSe3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS20
  • Space Group: 36
  • Phase Prototype: BaVS3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0998; wRP = 0.136; RB = 0.0849
  • Sample Detail(s): sample prepared from BaSe, Se, V, K, amounts of Se, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.5Ba0.5VSe3
  • Alphabetic Formula: Ba0.5K0.5Se3V
  • Published Formula: Ba1−xKxVSe3, x= 0.5
  • Refined Formula: Ba0.53K0.47Se2.35V
  • Wyckoff Sequence: 36,ba3
  • Z Formula Units: 4
  • Density: ρ = 5.04 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_1811542

  • 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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