Inorganic Solid Phases

NaW2O6·nH2−zO; NaW2O6·nH2O, n ~0.92 (Na0.5WO3[OD]0.5[D2O]0.2, T = 10 K) Crystal Structure

General Information

  • Phase Label(s): Na0.5WO3[OD]0.5[D2O]0.2
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF112
  • Space Group: 227
  • Phase Prototype: K0.6Bi1.2O2.5[OH]0.9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, HIFAR reactor, MRPD (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons; λ = 0.16649 nm (determination of structural parameters), T = 10 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, oxide, hydrate-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from Na2WO4[H2O]2, HCl, electron microprobe analysis, MAS NMR spectroscopy, thermogravimetry; Na0.99(4)W2.00O6.45; ~5 wt.% weight loss observed on heating to 1100 K; no W5+ detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.5WO3[OD]0.5[D2O]0.2
  • Alphabetic Formula: [D2O]0.2Na0.5O3[OD]0.5W
  • Published Formula: NaW2O6·nH2−zO; NaW2O6·nH2O, n ~0.92
  • Refined Formula: D0.90Na0.42O3.52W
  • Wyckoff Sequence: 227,fedc
  • Z Formula Units: 16
  • Density: ρ = 6.14 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_1627865

  • 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

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