Inorganic Solid Phases

Li4[Fe(C2O4)3]Cl·9H2O (Li4Fe[C2O4]3Cl[H2O]9) Crystal Structure

General Information

  • Phase Label(s): Li4Fe[C2O4]3Cl[H2O]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP132
  • Space Group: 188
  • Phase Prototype: Li4Fe[C2O4]3Cl[H2O]9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1360 reflections; I > 2.5σ(I), R = 0.046; wR = 0.052
  • Sample Detail(s): sample prepared from lithium oxalate, iron(III) chloride, chemical analysis; 47.9 wt.% C2O4, 29.7 wt.% H2O, 10.1 wt.% Fe, 6.6 wt.% Cl, single crystal (determination of cell parameters), single crystal, 0.2×0.65×0.65 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li4Fe[C2O4]3Cl[H2O]9
  • Alphabetic Formula: [C2O4]3ClFe[H2O]9Li4
  • Published Formula: Li4[Fe(C2O4)3]Cl·9H2O
  • Refined Formula: C6ClFeH18Li4O21
  • Wyckoff Sequence: 188,l8k3jihg
  • Z Formula Units: 4
  • Density: ρ = 1.75 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1812597

  • 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)

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