Inorganic Solid Phases

Li0.56(1)BC in Li0.78(1)BC (LiBC) Crystal Structure

General Information

  • Phase Label(s): LiBC
  • Structure Class(es): AlB2 family
  • Classification by Properties: Pauli paramagnet, nonmetal, semiconductor, superconductor
  • Mineral Name(s):
  • Pearson Symbol: hP6
  • Space Group: 194
  • Phase Prototype: BeZrSi
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borocarbide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0439
  • Sample Detail(s): sample prepared from LiBC, chemical analysis; overall composition of sample: Li0.78(1)BC; amounts of Li0.90(1)BC (64.8 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.56BC
  • Alphabetic Formula: BCLi0.56
  • Published Formula: Li0.56(1)BC in Li0.78(1)BC
  • Refined Formula: BCLi0.56
  • Wyckoff Sequence: 194,dca
  • Z Formula Units: 2
  • Density: ρ = 2.00 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_1230376

  • 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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