Inorganic Solid Phases

ZnFe4(PO4)3(OH)5, Zn(Fe3+,Zn,Al)4(PO4)3(OH)5, Zn1.17Fe2+0.37Fe3.46(PO4)3(OH)5 (ZnFe4[PO4]3[OH]5) Crystal Structure

General Information

  • Phase Label(s): ZnFe4[PO4]3[OH]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): plimerite
  • Pearson Symbol: oS112
  • Space Group: 63
  • Phase Prototype: Fe5[PO4]3[OH]5
  • 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
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 86 variables; 1332 reflections; F > 4σ(F), R = 0.0641; wR = 0.1457
  • Sample Detail(s): plimerite sample from Australia, New South Wales, Broken Hill, Block 14 opencut, electron microprobe analysis, Mössbauer spectroscopy; Ca0.02Pb0.01Zn1.20Fe2+0.42Fe3+3.09Al0.12P3.16As0.01O17.00H5.14, single crystal (determination of cell parameters), single crystal, 0.03×0.03×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: ZnFe4[PO4]3[OH]5
  • Alphabetic Formula: Fe4[OH]5[PO4]3Zn
  • Published Formula: ZnFe4(PO4)3(OH)5, Zn(Fe3+,Zn,Al)4(PO4)3(OH)5, Zn1.17Fe2+0.37Fe3.46(PO4)3(OH)5
  • Refined Formula: Al0.12Fe3.71H5O17P3Zn1.16
  • Wyckoff Sequence: 63,h2g2f7ca
  • Z Formula Units: 4
  • Density: ρ = 3.65 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_1223373

  • 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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