Inorganic Solid Phases

Mg0.99Fe0.04Al2.98Si0.99BO9 (Mg0.5Fe0.5Al3Si[BO3]O6) Crystal Structure

General Information

  • Phase Label(s): Mg0.5Fe0.5Al3Si[BO3]O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): grandidierite/ominelite
  • Pearson Symbol: oP60
  • Space Group: 62
  • Phase Prototype: (Mg0.9Fe0.1)Al3Si[BO3]O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, silicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 87 variables; 869 reflections; F > 4σ(F), R = 0.0163
  • Sample Detail(s): grandidierite sample from Madagascar (Malagasy Republic), electron microprobe analysis; Mg0.99(0)Fe0.04(0)Al2.98(1)Si0.99(0)B1.00O9, single crystal (determination of cell parameters), single crystal, 0.24×0.27×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.976Fe0.024Al3Si[BO3]O6
  • Alphabetic Formula: Al3[BO3]Fe0.024Mg0.976O6Si
  • Published Formula: Mg0.99Fe0.04Al2.98Si0.99BO9
  • Refined Formula: Al3BFe0.02Mg0.98O9Si
  • Wyckoff Sequence: 62,d2c9ba
  • Z Formula Units: 4
  • Density: ρ = 2.91 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217002

  • 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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