Inorganic Solid Phases

Zn2Fe(PO4)2(OH)·3H2O (Zn2Fe[PO4]2[OH][H2O]3) Crystal Structure

General Information

  • Phase Label(s): Zn2Fe[PO4]2[OH][H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): steinmetzite
  • Pearson Symbol: aP34
  • Space Group: 2
  • Phase Prototype: Zn2Fe[PO4]2[OH][H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction SuperNova (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 492 reflections; I > 2σ(I), R = 0.128; wR = 0.128
  • Sample Detail(s): steinmetzite sample from Germany, Bavaria, Auerbach, Oberpfalz, Hagendorf-Süd, electron microprobe analysis; Zn1.65Fe3+1.19Mn2+0.11Ca0.03Al0.02[PO4]2[OH]1.21[H2O]2.79, single crystal (determination of cell parameters), single crystal, 0.23×0.31×0.37 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn2Fe[PO4]2[OH][H2O]3
  • Alphabetic Formula: Fe[H2O]3[OH][PO4]2Zn2
  • Published Formula: Zn2Fe(PO4)2(OH)·3H2O
  • Refined Formula: Fe1.40H8O12P2Zn1.60
  • Wyckoff Sequence: 2,i16ba
  • Z Formula Units: 2
  • Density: ρ = 2.96 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]

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_1243767

  • 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

    Citation copied