Inorganic Solid Phases

Zn2Fe(PO4)2·4D2O (Zn2Fe[PO4]2[D2O]4, T = 4 K) Crystal Structure

General Information

  • Phase Label(s): Zn2Fe[PO4]2[D2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Zn2Fe[PO4]2[H2O]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.2988 nm (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 35 variables, RP = 0.0396; wRP = 0.0483; RB = 0.0278
  • Sample Detail(s): sample prepared from [ND4]2HPO4, ZnCl2, FeCl2, D2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zn2Fe[PO4]2[D2O]4
  • Alphabetic Formula: [D2O]4Fe[PO4]2Zn2
  • Published Formula: Zn2Fe(PO4)2·4D2O
  • Refined Formula: D8FeO12P2Zn2
  • Wyckoff Sequence: 14,e8a
  • Z Formula Units: 2
  • Density: ρ = 3.22 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1414240

  • 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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