Inorganic Solid Phases

(Fe7.3Mn3.8Ca0.5Mg0.4)((OH)7.3(H2O)4.7)(PO4)8 (Fe3[PO4]2[OH]3) Crystal Structure

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General Information

  • Phase Label(s): Fe3[PO4]2[OH]3
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): kryzhanovskite
  • Pearson Symbol: oP64
  • Space Group: 60
  • Phase Prototype: Fe3[PO4]2[OH]3
  • Measurement Detail(s): precession photographs (determination of cell parameters), automatic diffractometer; Philips PAILRED (determination of structural parameters), X-rays, Fe Kα; λ = 0.193728 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 530 reflections; I > 0σ(I), R = 0.086
  • Sample Detail(s): kryzhanovskite sample from Kazakhstan, Kalbinsk Range, chemical analysis; 35.30 wt.% P2O5, 34.62 wt.% Fe2O3, 16.39 wt.% MnO, 1.50 wt.% CaO, 1.30 wt.% MgO, 8.75 wt.% H2O, powder (determination of cell parameters), single crystal, 0.10×0.16×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe3[PO4]2[OH]3
  • Alphabetic Formula: Fe3[OH]3[PO4]2
  • Published Formula: (Fe7.3Mn3.8Ca0.5Mg0.4)((OH)7.3(H2O)4.7)(PO4)8
  • Refined Formula: Fe3H3O11P2
  • Wyckoff Sequence: 60,d7ca
  • Z Formula Units: 4
  • Density: ρ = 3.39 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]

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_1615521

  • 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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