Inorganic Solid Phases

Li2C6O4Cl2·H2O (Li2[C6O4Cl2][H2O]) Crystal Structure

General Information

  • Phase Label(s): Li2[C6O4Cl2][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS64
  • Space Group: 15
  • Phase Prototype: Li2[C6O4Cl2][H2O]
  • Measurement Detail(s): automatic diffractometer; Bruker AXS D8 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloranilate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0341; wRP = 0.0451; RB = 0.0011
  • Sample Detail(s): sample prepared from Li2CO3, chloranilinic acid, chemical analysis; 30.09 wt.% C, 0.94 wt.% H, 29.53 wt.% Cl, 5.73 wt.% Li, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2[C6O4Cl2][H2O]
  • Alphabetic Formula: [C6O4Cl2][H2O]Li2
  • Published Formula: Li2C6O4Cl2·H2O
  • Refined Formula: C6Cl2H2.20Li2O5.10
  • Wyckoff Sequence: 15,f7e2
  • Z Formula Units: 4
  • Density: ρ = 1.90 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_1717638

  • 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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