Inorganic Solid Phases

CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8 (HNaCa[UO2]2Fe2[PO4]4[OH]2[H2O]8) Crystal Structure

General Information

  • Phase Label(s): HNaCa[UO2]2Fe2[PO4]4[OH]2[H2O]8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lakebogaite
  • Pearson Symbol: mS156
  • Space Group: 9
  • Phase Prototype: HNaCa[UO2]2Fe2[PO4]4[OH]2[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 221 variables; 5222 reflections; F > 4σ(F), R = 0.038
  • Sample Detail(s): lakebogaite sample from Australia, Victoria, Lake Boga, Granite quarry, electron microprobe analysis; (Ca1.00Na0.80Sr0.10)(Fe3+1.85Al0.30)[UO2]1.80[PO4]4.07[OH,H2O]10.12, twinned crystal (determination of cell parameters), twinned crystal, 0.05×0.08×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNaCa[UO2]2Fe2[PO4]4[OH]2[H2O]8
  • Alphabetic Formula: CaFe2H[H2O]8Na[OH]2[PO4]4[UO2]2
  • Published Formula: CaNaFe3+2H(UO2)2(PO4)4(OH)2(H2O)8
  • Refined Formula: Al0.09Ca0.87Fe1.91H16Na1.13O29P4U1.89
  • Wyckoff Sequence: 9,a39
  • Z Formula Units: 4
  • Density: ρ = 3.60 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1221932

  • 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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