Inorganic Solid Phases

Li2.8(Li7.6Hf0.4)As4 (Li2.6Hf0.1As) Crystal Structure

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General Information

  • Phase Label(s): Li2.6Hf0.1As
  • Structure Class(es): b.c.c. atom arrangement, fluorite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF16
  • Space Group: 225
  • Phase Prototype: BiF3
  • Measurement Detail(s): film (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenide
  • Interpretation Detail(s): complete structure determined, trial-and-error; 69 reflections; F > 4σ(F), R = 0.073; wR = 0.055
  • Sample Detail(s): powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2.6Hf0.1As
  • Alphabetic Formula: AsHf0.1Li2.6
  • Published Formula: Li2.8(Li7.6Hf0.4)As4
  • Refined Formula: AsHf0.10Li2.60
  • Wyckoff Sequence: 225,cba
  • Z Formula Units: 4
  • Density: ρ = 3.10 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

Displacement Parameters

Isotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0301163

  • 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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