Inorganic Solid Phases

LiGd(BH4)3Cl (LiGd[BH4]3Cl, T = 498 K) Crystal Structure

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General Information

  • Phase Label(s): LiGd[BH4]3Cl
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI52
  • Space Group: 217
  • Phase Prototype: LiCe[BH4]3Cl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.069736 nm (determination of cell and structural parameters), T = 498 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): borohydride, chloride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0207; wRP = 0.0256; RB = 0.0229
  • Sample Detail(s): sample prepared from GdCl3, LiBH4, amounts of GdCl3, Gd[BH4]3 and LiCl, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiGd[BH4]3Cl
  • Alphabetic Formula: [BH4]3ClGdLi
  • Published Formula: LiGd(BH4)3Cl
  • Refined Formula: B3ClGdH12Li0.57
  • Wyckoff Sequence: 217,gdc2
  • Z Formula Units: 8
  • Density: ρ = 2.10 Mg·m−3
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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_1230610

  • 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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