Inorganic Solid Phases

Li3MgZn5(BD4)15 (Li3MgZn5[BD4]15, T = 15 K) Crystal Structure

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General Information

  • Phase Label(s): Li3MgZn5[BD4]15
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP48
  • Space Group: 193
  • Phase Prototype: Li(Li0.67Mg0.33)3Zn5[BH4]15
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons; λ = 0.18857 nm (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): borohydride-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, wRP = 0.066
  • Sample Detail(s): sample prepared from Li11BD4, Mg[11BD4]2, ZnCl2, amounts of LiCl(44 wt.%),LiZn2(BH4)5(5 wt.%),Li2MgCl4(5.5 wt.%) ZnCl2(1.5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li3MgZn5[BD4]15
  • Alphabetic Formula: [BD4]15Li3MgZn5
  • Published Formula: Li3MgZn5(BD4)15
  • Refined Formula: B15D60Li3MgZn5
  • Wyckoff Sequence: 193,kjg3cb
  • Z Formula Units: 2
  • Density: ρ = 1.27 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

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1637679

  • 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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