Inorganic Solid Phases

V0.976Cr0.024O2; M3 (V0.976Cr0.024O2 rt, T = 180(5) K) Crystal Structure

General Information

  • Phase Label(s): V0.976Cr0.024O2 rt
  • Structure Class(es):
  • Classification by Properties: intermediate valence, nonmetal, semiconductor
  • Mineral Name(s):
  • Pearson Symbol: mS24
  • Space Group: 12
  • Phase Prototype: VO2-a
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; General Electric XRD-5 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 180 K (determination of cell parameters), T = 180(5) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement, R = 0.050
  • Sample Detail(s): sample prepared from V2O3, V2O5, Cr2O3, powder (determination of cell parameters), twinned crystal, 0.32 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: V0.976Cr0.024O2
  • Alphabetic Formula: Cr0.024O2V0.976
  • Published Formula: V0.976Cr0.024O2; M3
  • Refined Formula: Cr0.02O2V0.98
  • Wyckoff Sequence: 12,ji3h
  • Z Formula Units: 8
  • Density: ρ = 4.65 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_1924628

  • 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

    Citation copied