Inorganic Solid Phases

LiBH4 low temperature (LT) (Li[BH4] hp3, T = 225 K) Crystal Structure

General Information

  • Phase Label(s): Li[BH4] hp3
  • Structure Class(es):
  • Classification by Properties: ionic conductor
  • Mineral Name(s):
  • Pearson Symbol: oP24
  • Space Group: 62
  • Phase Prototype: Li[BH4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays, synchrotron; λ = 0.071118 nm (determination of cell and structural parameters), T = 225 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borohydride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 34 variables; 200 reflections; I > 2σ(I), R = 0.0455; wR = 0.1318
  • Sample Detail(s): sample prepared from Li[BH4], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li[BH4]
  • Alphabetic Formula: [BH4]Li
  • Published Formula: LiBH4 low temperature (LT)
  • Refined Formula: BH4Li
  • Wyckoff Sequence: 62,dc4
  • Z Formula Units: 4
  • Density: ρ = 0.68 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1628033

  • 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