Inorganic Solid Phases

Na3.2[(V4+4.1V5+0.9O9)(PO4)2](OH)0.1·8H2O (Na3.2V5[PO4]2O9[OH]0.1[H2O]8) Crystal Structure

General Information

  • Phase Label(s): Na3.2V5[PO4]2O9[OH]0.1[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI430
  • Space Group: 229
  • Phase Prototype: Na3.2V5[PO4]2O9[OH]0.1[H2O]8
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 74 variables; 215 reflections; F > 3σ(F), R = 0.067; wR = 0.047
  • Sample Detail(s): sample prepared from VOSO4, NaH2PO4, Na2HPO4, single crystal (determination of cell parameters), single crystal, 0.035×0.035×0.035 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.2V5[PO4]2O9[OH]0.1[H2O]8
  • Alphabetic Formula: [H2O]8Na3.2O9[OH]0.1[PO4]2V5
  • Published Formula: Na3.2[(V4+4.1V5+0.9O9)(PO4)2](OH)0.1·8H2O
  • Refined Formula: H16.17Na3.05O25.09P2V5
  • Wyckoff Sequence: 229,k4j2h2f2e3dcb
  • Z Formula Units: 6
  • Density: ρ = 1.96 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
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_1701757

  • 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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