Inorganic Solid Phases

Si3B[Al6.750.25O17.25(OH)0.75] (Al6.75[SiO4]3[BO3]O2.25[OH]0.75) Crystal Structure

General Information

  • Phase Label(s): Al6.75[SiO4]3[BO3]O2.25[OH]0.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dumortierite
  • Pearson Symbol: oP116
  • Space Group: 62
  • Phase Prototype: (Fe0.5Al0.5)7[SiO4]3[BO3]O3
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2053 reflections; I > 2σ(I), R = 0.032; wR = 0.038
  • Sample Detail(s): dumortierite sample from Madagascar (Malagasy Republic), Saharina, single crystal (determination of cell parameters), single crystal, 0.2×0.25×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Al6.75[SiO4]3[BO3]O2.25[OH]0.75
  • Alphabetic Formula: Al6.75[BO3]O2.25[OH]0.75[SiO4]3
  • Published Formula: Si3B[Al6.750.25O17.25(OH)0.75]
  • Refined Formula: Al6.43BH0.75O18Si3
  • Wyckoff Sequence: 62,d11c7
  • Z Formula Units: 4
  • Density: ρ = 3.34 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

Displacement Parameters

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624168

  • 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)

  • Cite this content

    Citation copied