Inorganic Solid Phases

Li1−x−yNi1+xO2, x=0.01, y= 0.4 (LiNiO2 mon) Crystal Structure

General Information

  • Phase Label(s): LiNiO2 mon
  • Structure Class(es):
  • Classification by Properties: ionic conductor
  • Mineral Name(s):
  • Pearson Symbol: mS8
  • Space Group: 12
  • Phase Prototype: NaNiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RAD-C (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.120; RB = 0.041
  • Sample Detail(s): sample prepared from LiNiO2, LiClO4, propylene carbonate, dimethoxyethane, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.59Ni1.01O2
  • Alphabetic Formula: Li0.59Ni1.01O2
  • Published Formula: Li1−x−yNi1+xO2, x=0.01, y= 0.4
  • Refined Formula: Li0.59Ni1.01O2
  • Wyckoff Sequence: 12,icb
  • Z Formula Units: 2
  • Density: ρ = 4.73 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_1420359

  • 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