Inorganic Solid Phases

D2O-treated Na0.52(2)Mn0.8Fe0.1Ti0.1O2; Na0.52(2)D0.04(1)Mn0.8Fe0.1Ti0.1O2 (D0.04Na0.52Ti0.1Mn0.8Fe0.1O2) Crystal Structure

General Information

  • Phase Label(s): D0.04Na0.52Ti0.1Mn0.8Fe0.1O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP10
  • Space Group: 194
  • Phase Prototype: Na0.5CoO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, OPAL reactor, ECHIDNA (determination of structural parameters), neutrons; λ = 0.16215 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0382; wRP = 0.0507
  • Sample Detail(s): sample prepared from Na2CO3, Mn2O3, Fe2O3 (hematite), TiO2, energy-dispersive X-ray analysis, inductive coupled plasma method; Na/Mn/Fe/Ti ratio 0.43/0.80/0.10/0.09; Na/Mn/Fe/Ti ratio 0.43/0.80/0.12/0.09, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D0.04Na0.52Ti0.1Mn0.8Fe0.1O2
  • Alphabetic Formula: D0.04Fe0.1Mn0.8Na0.52O2Ti0.1
  • Published Formula: D2O-treated Na0.52(2)Mn0.8Fe0.1Ti0.1O2; Na0.52(2)D0.04(1)Mn0.8Fe0.1Ti0.1O2
  • Refined Formula: D0.04Fe0.10Mn0.80Na0.52O2Ti0.10
  • Wyckoff Sequence: 194,fcba
  • Z Formula Units: 2
  • Density: ρ = 3.96 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_1644103

  • 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