Inorganic Solid Phases

(Al1−xGax)4B2O9, x= 0.9 (Al2Ga2B1.5[BO3]0.5O7.5) Crystal Structure

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General Information

  • Phase Label(s): Al2Ga2B1.5[BO3]0.5O7.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS72
  • Space Group: 12
  • Phase Prototype: Ga4B0.5[BO3]1.5O4.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.07093 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthoborate, borate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement
  • Sample Detail(s): sample prepared from Al[NO3]3[H2O]9, Ga[NO3]3[H2O]7, B[OH]3, energy-dispersive X-ray analysis; Al and Ga detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Al0.4Ga3.6B0.5[BO3]1.5O4.5
  • Alphabetic Formula: Al0.4[BO3]1.5B0.5Ga3.6O4.5
  • Published Formula: (Al1−xGax)4B2O9, x= 0.9
  • Refined Formula: Al0.69B2Ga3.31O9
  • Wyckoff Sequence: 12,j2i12fe
  • Z Formula Units: 4
  • Density: ρ = 4.23 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_1722223

  • 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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