Inorganic Solid Phases

Zr3V3ODx, x= 1.86 (Zr3V3OD2.85) Crystal Structure

General Information

  • Phase Label(s): Zr3V3OD2.85
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF336
  • Space Group: 227
  • Phase Prototype: Zr3V3OH2.85
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, SEPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 18 variables; 677 reflections, RP = 0.0200; wRP = 0.0329
  • Sample Detail(s): sample prepared from Zr3V3O, D2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zr3V3OD1.86
  • Alphabetic Formula: D1.86OV3Zr3
  • Published Formula: Zr3V3ODx, x= 1.86
  • Refined Formula: D1.88O0.98V3Zr3
  • Wyckoff Sequence: 227,ife2dc
  • Z Formula Units: 16
  • Density: ρ = 6.34 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812303

  • 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