Inorganic Solid Phases

NaTi0.05Nb0.95O2.975 (NaTi0.2Nb0.8O2.9) Crystal Structure

General Information

  • Phase Label(s): NaTi0.2Nb0.8O2.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP40
  • Space Group: 57
  • Phase Prototype: NaNbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New Mexico, Los Alamos Neutron Science Center, Manuel Lujan Neutron Scattering Facility, HIPPO (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.028; wRP = 0.046
  • Sample Detail(s): sample prepared from niobium ethoxide, NaOH, C2H5OH (ethanol), titanium isopropoxide (TIP), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaTi0.05Nb0.95O2.975
  • Alphabetic Formula: NaNb0.95O2.975Ti0.05
  • Published Formula: NaTi0.05Nb0.95O2.975
  • Refined Formula: NaNb0.95O2.97Ti0.05
  • Wyckoff Sequence: 57,e3d2c2
  • Z Formula Units: 8
  • Density: ρ = 4.50 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_1005044

  • 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