Inorganic Solid Phases

FeSO4·7D2O (Fe[SO4][H2O]0.42[D2O]6.58) Crystal Structure

General Information

  • Phase Label(s): Fe[SO4][H2O]0.42[D2O]6.58
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP52
  • Space Group: 14
  • Phase Prototype: Fe[SO4][H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Canada, Ontario, Chalk River Laboratories, NRU reactor, DUALSPEC C2 (determination of structural parameters), neutrons; λ = 0.13308 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0218; wRP = 0.0301
  • Sample Detail(s): sample prepared from FeSO4[H2O]7, D2SO4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe[SO4][H2O]0.42[D2O]6.58
  • Alphabetic Formula: [D2O]6.58Fe[H2O]0.42[SO4]
  • Published Formula: FeSO4·7D2O
  • Refined Formula: D13.16FeH0.84O11S
  • Wyckoff Sequence: 14,e12cb
  • Z Formula Units: 4
  • Density: ρ = 1.99 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_1217097

  • 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