Inorganic Solid Phases

Na4Ti5O12, low-temperature (Na4Ti5O12 rt) Crystal Structure

General Information

  • Phase Label(s): Na4Ti5O12 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP21
  • Space Group: 143
  • Phase Prototype: Na4Ti5O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Russia, Dubna, Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, IBR-2 reactor, DN-12 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154056 nm (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters), T = 295 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 60 variables, RP = 0.0627; wRP = 0.0507; RB = 0.0213
  • Sample Detail(s): sample prepared from TiO2 rutile, Na2CO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4Ti5O12
  • Alphabetic Formula: Na4O12Ti5
  • Published Formula: Na4Ti5O12, low-temperature
  • Refined Formula: Na4O12Ti5
  • Wyckoff Sequence: 143,d4c3b3a3
  • Z Formula Units: 1
  • Density: ρ = 3.71 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_1413798

  • 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