Inorganic Solid Phases

Ca(UO2)2(PO4)2·6H2O (Ca0.5[UO2][PO4][H2O]3) Crystal Structure

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General Information

  • Phase Label(s): Ca0.5[UO2][PO4][H2O]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): meta-autunite
  • Pearson Symbol: tP26
  • Space Group: 129
  • Phase Prototype: Ca0.5[UO2][PO4][H2O]3
  • Measurement Detail(s): diffractometer and Weissenberg photographs (determination of cell parameters), diffractometer; URS-50 I (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined
  • Sample Detail(s): metaautunite sample from, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.6 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.5[UO2][PO4][H2O]3
  • Alphabetic Formula: Ca0.5[H2O]3[PO4][UO2]
  • Published Formula: Ca(UO2)2(PO4)2·6H2O
  • Refined Formula: Ca0.50H6O9PU
  • Wyckoff Sequence: 129,jic4a
  • Z Formula Units: 2
  • Density: ρ = 3.58 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812397

  • 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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