Inorganic Solid Phases

Fe2+Fe43+(OH)5(PO4)3 (Fe5[PO4]3[OH]5) Crystal Structure

General Information

  • Phase Label(s): Fe5[PO4]3[OH]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rockbridgeite
  • Pearson Symbol: oS112
  • Space Group: 63
  • Phase Prototype: Fe5[PO4]3[OH]5
  • Measurement Detail(s): Debye-Scherrer film (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays (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; 340 reflections; I > 0σ(I), R = 0.12
  • Sample Detail(s): rockbridgeite sample from U.S.A. Virginia, Irish Creek, chemical analysis; 11.07 wt.% FeO, 49.20 wt.% Fe2O3, 32.80 wt.% P2O5, 6.93 wt.% H2O, powder (determination of cell parameters), single crystal, 0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe5[PO4]3[OH]5
  • Alphabetic Formula: Fe5[OH]5[PO4]3
  • Published Formula: Fe2+Fe43+(OH)5(PO4)3
  • Refined Formula: Fe5H5O17P3
  • Wyckoff Sequence: 63,h2g2f7ca
  • 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
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_1615467

  • 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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