Inorganic Solid Phases

K0.932V5+5.668V4+0.632Mo6+1.700O21 (K0.93V6.3Mo1.7O21, T = 566.4 K) Crystal Structure

General Information

  • Phase Label(s): K0.93V6.3Mo1.7O21
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS62
  • Space Group: 12
  • Phase Prototype: K0.93V2(V0.67Mo0.33)6O21
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 566.4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 103 variables; 1183 reflections, R = 0.0416; wR = 0.0858
  • Sample Detail(s): sample prepared from (Mo0.3V0.7)2O5, K2C2O4, single crystal (determination of cell parameters), single crystal, 0.0212×0.026×0.1325 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.93V6.3Mo1.7O21
  • Alphabetic Formula: K0.93Mo1.7O21V6.3
  • Published Formula: K0.932V5+5.668V4+0.632Mo6+1.700O21
  • Refined Formula: K0.93Mo1.70O21V6.30
  • Wyckoff Sequence: 12,i15a
  • Z Formula Units: 2
  • Density: ρ = 3.52 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1409192

  • 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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