Inorganic Solid Phases

TaO1.7 (Ta1.19O1.5) Crystal Structure

General Information

  • Phase Label(s): Ta1.19O1.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP112
  • Space Group: 221
  • Phase Prototype: Nb0.91O1.5
  • Measurement Detail(s): electron diffraction (determination of cell and structural parameters), electrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, trial-and-error, R = 0.22
  • Sample Detail(s): sample prepared from Ta, O2, thin film (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta0.87O1.5
  • Alphabetic Formula: O1.5Ta0.87
  • Published Formula: TaO1.7
  • Refined Formula: O1.50Ta0.87
  • Wyckoff Sequence: 221,l2k2gdcba
  • Z Formula Units: 8
  • Density: ρ = 5.18 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_1612800

  • 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