Inorganic Solid Phases

dumortierite (Al7[SiO4]3[BO3]O3) Crystal Structure

General Information

  • Phase Label(s): Al7[SiO4]3[BO3]O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dumortierite
  • Pearson Symbol: oP124
  • Space Group: 62
  • Phase Prototype: Al7[SiO4]3[BO3]O3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 151 variables; 1978 reflections; I > 2σ(I), R = 0.0176; wR = 0.0403
  • Sample Detail(s): dumortierite sample from Antarctica, Prydz Bay, Larsemann Hills, electron microprobe analysis; P0.002(1)Si2.936(10)Ti0.008(1)B1.000Al7.025(11)Fe3+0.026(1)As3+0.003(1)Bi0.001(1)Mg0.001F0.028(23)O17.967(23), single crystal (determination of cell parameters), single crystal, 0.13×0.13×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Al7[SiO4]3[BO3]O3
  • Alphabetic Formula: Al7[BO3]O3[SiO4]3
  • Published Formula: dumortierite
  • Refined Formula: Al6.79BO18Si3
  • Wyckoff Sequence: 62,d11c9
  • Z Formula Units: 4
  • Density: ρ = 3.40 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

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1229333

  • 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