Inorganic Solid Phases

Ca0.12Li0.86H0.08V3O8 (H0.05Li0.70Ca0.20V3O8) Crystal Structure

General Information

  • Phase Label(s): H0.05Li0.70Ca0.20V3O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP24
  • Space Group: 11
  • Phase Prototype: LiV3O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, RP = 0.0110; wRP = 0.0144
  • Sample Detail(s): sample prepared from Li1.1V3O8, BaCl2[H2O]x, ethanol, energy-dispersive X-ray analysis, inductive coupled plasma method, potentiometry; Li and V content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.08Li0.86Ca0.12V3O8
  • Alphabetic Formula: Ca0.12H0.08Li0.86O8V3
  • Published Formula: Ca0.12Li0.86H0.08V3O8
  • Refined Formula: Ca0.11Li0.81O8V3
  • Wyckoff Sequence: 11,e12
  • Z Formula Units: 2
  • Density: ρ = 3.55 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_1626094

  • 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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