Inorganic Solid Phases

Fe3+3.76Fe2+0.53(PO4)3(OH)2.60O0.37 (Fe1.54[PO4]O0.28[OH]0.72) Crystal Structure

General Information

  • Phase Label(s): Fe1.54[PO4]O0.28[OH]0.72
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI32
  • Space Group: 141
  • Phase Prototype: Mg1.33[SO4]([OH]0.67[H2O]0.33)
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, multiphase; 18 variables, RP = 0.142; wRP = 0.194; RB = 0.0449
  • Sample Detail(s): sample prepared from Fe, Fe2O3 (hematite), FePO4, chemical analysis; 36.93 wt.% P2O5, 52.7 wt.% Fe2O3, 6.63 wt.% FeO, 4.07 wt.% H2O; amounts of α-Fe2O3 (1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe1.43[PO4]O0.12[OH]0.87
  • Alphabetic Formula: Fe1.43O0.12[OH]0.87[PO4]
  • Published Formula: Fe3+3.76Fe2+0.53(PO4)3(OH)2.60O0.37
  • Refined Formula: Fe1.40H0.82O5P
  • Wyckoff Sequence: 141,hcba
  • Z Formula Units: 4
  • Density: ρ = 3.62 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1003129

  • 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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