Inorganic Solid Phases

Li3MnZn5(BH4)15 (Li3Zn5Mn[BH4]15) Crystal Structure

General Information

  • Phase Label(s): Li3Zn5Mn[BH4]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 parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.075274 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borohydride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.071
  • Sample Detail(s): sample prepared from LiBH4, MnCl2, ZnCl2, amounts of LiCl (34.2(6) wt.%), Mn(BH4)2 (8.0(4) wt.%), α-ZnCl2 (12.5(3) wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li3Zn5Mn[BH4]15
  • Alphabetic Formula: [BH4]15Li3MnZn5
  • Published Formula: Li3MnZn5(BH4)15
  • Refined Formula: B15H60Li2.98Mn1.02Zn5
  • Wyckoff Sequence: 193,kjg3cb
  • Z Formula Units: 2
  • Density: ρ = 1.18 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
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_1637680

  • 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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