Inorganic Solid Phases

Zr3O Crystal Structure

General Information

  • Phase Label(s): Zr3O ht1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP8
  • Space Group: 182
  • Phase Prototype: Fe3N
  • Measurement Detail(s): automatic diffractometer; Norway, Kjeller, Institute for Energy Technology, JEEP II reactor, OPUS II (determination of structural parameters), neutrons; λ = 0.15482 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from Zr, V, B2O3, electron microprobe analysis; starting alloy composition Zr3V3B0.40O0.60; composition confirmed; amounts of η-Z2V3(B,O), V3B2, VO0.03, ZrV2 (79.5, 6.4, 1.1, 1.3 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Zr3O
  • Alphabetic Formula: OZr3
  • Published Formula: Zr3O
  • Refined Formula: OZr3
  • Wyckoff Sequence: 182,gc
  • Z Formula Units: 2
  • Density: ρ = 6.75 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_1908430

  • 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