Inorganic Solid Phases

(Na0.98)(Mg1.29Al0.99Fe0.63Ti0.05)(Al4.90Mg1.1)(Si5.83B0.17)B3O27[(OH)3.93F0.07] (NaMg2.44Fe0.63Al5.93Si5.83[BO3]3.17O17.5[OH]3.9F0.1) Crystal Structure

General Information

  • Phase Label(s): NaMg2.44Fe0.63Al5.93Si5.83[BO3]3.17O17.5[OH]3.9F0.1
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): dravite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 94 variables; 1132 reflections; F > 4σ(F), R = 0.0173
  • Sample Detail(s): dravite sample from Greece, Syros, electron microprobe analysis, mass spectroscopy; (Na0.96Ca0.02)(Mg1.29Al0.99Fe0.63Ti0.05)(Al4.90Mg1.1)(Si5.83B0.17)B3O27([OH]3.93F0.07), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaMg2.44Fe0.63Al5.93Si5.83B3.17O27[OH]3.93F0.07
  • Alphabetic Formula: Al5.93B3.17F0.07Fe0.63Mg2.44NaO27[OH]3.93Si5.83
  • Published Formula: (Na0.98)(Mg1.29Al0.99Fe0.63Ti0.05)(Al4.90Mg1.1)(Si5.83B0.17)B3O27[(OH)3.93F0.07]
  • Refined Formula: Al9B3.26H4NaO31Si5.74
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.06 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_1121538

  • 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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