Inorganic Solid Phases

α-Ba2ZrF8 (Ba2ZrF8) Crystal Structure

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General Information

  • Phase Label(s): Ba2ZrF8
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP44
  • Space Group: 62
  • Phase Prototype: Ba2ZrF8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Cheshire, Daresbury Synchrotron Radiation Source, 8.3 station (determination of structural parameters), X-rays, synchrotron; λ = 0.154072 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 41 variables; 442 reflections, RP = 0.173; wRP = 0.148; RB = 0.0680
  • Sample Detail(s): sample prepared from HF, BaF2, ZrF4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2ZrF8
  • Alphabetic Formula: Ba2F8Zr
  • Published Formula: α-Ba2ZrF8
  • Refined Formula: Ba2F8Zr
  • Wyckoff Sequence: 62,d3c5
  • Z Formula Units: 4
  • Density: ρ = 5.29 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_1414976

  • 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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