Inorganic Solid Phases

Be2(BO3)(OH,F) (Be2[BO3][OH]0.5F0.5) Crystal Structure

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General Information

  • Phase Label(s): Be2[BO3][OH]0.5F0.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): hambergite
  • Pearson Symbol: oP56
  • Space Group: 61
  • Phase Prototype: Be2[BO3][OH]-b
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthoborate, hydroxide, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 645 reflections; F > 5σ(F), R = 0.042; wR = 0.054
  • Sample Detail(s): hambergite sample from U.S.A. California, San Diego County, Himalaya mine, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Be2[BO3][OH]0.94F0.06
  • Alphabetic Formula: [BO3]Be2F0.06[OH]0.94
  • Published Formula: Be2(BO3)(OH,F)
  • Refined Formula: BBe2F0.06H0.94O3.94
  • Wyckoff Sequence: 61,c7
  • Z Formula Units: 8
  • Density: ρ = 2.36 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_1014119

  • 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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