Inorganic Solid Phases

HxLiyCo3−dO4; H1.25Li0.13Co2.34O4[H2O]0.36 (H1.37Li0.12Co2.3O4[H2O]0.16, T = 373 K) Crystal Structure

General Information

  • Phase Label(s): H1.37Li0.12Co2.3O4[H2O]0.16
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: Fe3O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Co Kα (determination of cell and structural parameters), T = 373 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from Co[NO3]2[H2O]6, H2O2, KOH, NaOH, LiOH, inductive coupled plasma method, iodometric titration, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.25Li0.13Co2.34O4[H2O]0.36
  • Alphabetic Formula: Co2.34H1.25[H2O]0.36Li0.13O4
  • Published Formula: HxLiyCo3−dO4; H1.25Li0.13Co2.34O4[H2O]0.36
  • Refined Formula: Co2.40O4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 5.31 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_1638318

  • 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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