Inorganic Solid Phases

dravite (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]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA 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, hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined; absolute structure determined, least-squares refinement; 95 variables; 2323 reflections; I > 2σ(I), R = 0.0151; wR = 0.0376
  • Sample Detail(s): dravite sample from Sweden, Västmanland, Forshammar quarries, electron microprobe analysis; (Si5.995Al0.005)B3.000(Ti0.022Al6.467Fe0.163Mn0.006Mg2.174)(Ca0.050Na0.711K0.0100.228)O27F0.038[OH]3.420O0.542, single crystal (determination of cell parameters), single crystal, 0.15×0.20×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.84Mg2.2Fe0.4Al6.5Si6[BO3]3O18.54[OH]3.42F0.04
  • Alphabetic Formula: Al6.5[BO3]3F0.04Fe0.4Mg2.2Na0.84O18.54[OH]3.42Si6
  • Published Formula: dravite
  • Refined Formula: Al6B3Fe0.24H3Mg2.76Na0.86O31Si6
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.07 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_1229507

  • 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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