Inorganic Solid Phases

Na0.13(V0.13Mo0.87)O3·nH2O (Na0.13V0.13Mo0.87O3[D2O]0.08) Crystal Structure

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General Information

  • Phase Label(s): Na0.13V0.13Mo0.87O3[D2O]0.08
  • Structure Class(es): hexagonal bronze
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP32
  • Space Group: 173
  • Phase Prototype: Na0.13(V0.13Mo0.87)O3[H2O]0.08
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.1358 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.080; wRP = 0.106; RB = 0.061
  • Sample Detail(s): sample prepared from NaVO3, MoO3, D2O, electron microprobe analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.13V0.13Mo0.87O3[D2O]0.08
  • Alphabetic Formula: [D2O]0.08Mo0.87Na0.13O3V0.13
  • Published Formula: Na0.13(V0.13Mo0.87)O3·nH2O
  • Refined Formula: D0.16Mo0.84Na0.12O3.08V0.16
  • Wyckoff Sequence: 173,c5a
  • Z Formula Units: 6
  • Density: ρ = 3.93 Mg·m−3
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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_1101683

  • 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)

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