Inorganic Solid Phases

Fe2−y(PO4)(OH)(OH)0.57(H2O)0.43 (Fe1.2[PO4][OH]0.6[H2O]0.4) Crystal Structure

General Information

  • Phase Label(s): Fe1.2[PO4][OH]0.6[H2O]0.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI40
  • Space Group: 141
  • Phase Prototype: Fe1.21[PO4]([OH]0.18F0.45[H2O]0.37)
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Scintag XDS-2000 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, R = 0.0516; RP = 0.0710; wRP = 0.0937
  • Sample Detail(s): sample prepared from FeCl3, H3PO4, H2O, Fe1.19[PO4][OH]0.57[H2O]0.43, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe1.19[PO4][OH]0.57[H2O]0.43
  • Alphabetic Formula: Fe1.19[H2O]0.43[OH]0.57[PO4]
  • Published Formula: Fe2−y(PO4)(OH)(OH)0.57(H2O)0.43
  • Refined Formula: Fe1.18H1.43O5P
  • Wyckoff Sequence: 141,h2ba
  • Z Formula Units: 4
  • Density: ρ = 3.40 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1321634

  • 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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