Inorganic Solid Phases

dumortierite (Ta0.07Fe0.1Al6.85Sb0.05Si2.66[BO3]As0.18O14.765) Crystal Structure

General Information

  • Phase Label(s): Ta0.07Fe0.1Al6.85Sb0.05Si2.66[BO3]As0.18O14.765
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dumortierite
  • Pearson Symbol: oP148
  • Space Group: 62
  • Phase Prototype: Mg0.12Ti0.1Fe0.07Al6.72Si2.84[BO3]As0.11O14.85
  • 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, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 164 variables; 1342 reflections; I > 2σ(I), R = 0.0161; wR = 0.0405
  • Sample Detail(s): dumortierite sample from Antarctica, Enderby Land, Amundsen Bay, Tonagh Island, electron microprobe analysis; P0.011(3)Nb0.018(7)Ta0.045(35)Si2.654(124)Ti0.003(1)B1.000Al6.851(57)Fe3+0.077(8)As3+0.176(68)Sb3+0.043(17)Bi0.004(2)Mg0.032(8)F0.014(11)O17.762(80), single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ta0.07Fe0.1Al6.85Sb0.05Si2.66[BO3]As0.18O14.765
  • Alphabetic Formula: Al6.85As0.18[BO3]Fe0.1O14.765Sb0.05Si2.66Ta0.07
  • Published Formula: dumortierite
  • Refined Formula: Al6.81As0.10BO17.88Sb0.02Si2.88
  • Wyckoff Sequence: 62,d13c11
  • Z Formula Units: 4
  • Density: ρ = 3.53 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_1229336

  • 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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