Inorganic Solid Phases

Al6.74(Ti,Fe,Mg,Ca)0.14(Si2.92Al0.08)BO17.60(OH)0.40 (Mg0.01Ti0.13Fe0.04Al6.72Si2.95BO17.6[OH]0.4) Crystal Structure

General Information

  • Phase Label(s): Mg0.01Ti0.13Fe0.04Al6.72Si2.95BO17.6[OH]0.4
  • 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; 38 (determination of cell parameters), automatic diffractometer; Nicolet P3 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1513 reflections; I > 1σ(I), R = 0.045; wR = 0.035
  • Sample Detail(s): dumortierite sample from Madagascar (Malagasy Republic), Ambositra, electron microprobe analysis; 31.79 wt.% SiO2, 0.32 wt.% TiO2, 60.81 wt.% Al2O3, 0.38 wt.% Fe2O3, 6.14 wt.% B2O3, 0.53 wt.% MgO et al., powder (determination of cell parameters), single crystal, 0.14×0.20×0.36 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.01Ti0.09Fe0.01Al6.77Si2.97BO17.6[OH]0.4
  • Alphabetic Formula: Al6.77BFe0.01Mg0.01O17.6[OH]0.4Si2.97Ti0.09
  • Published Formula: Al6.74(Ti,Fe,Mg,Ca)0.14(Si2.92Al0.08)BO17.60(OH)0.40
  • Refined Formula: Al6.56BFe0.04Mg0.10O18Si2.95Ti0.03
  • Wyckoff Sequence: 62,d11c7
  • Z Formula Units: 4
  • Density: ρ = 3.38 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_1616094

  • 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

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