Inorganic Solid Phases

Si5.618B0.382B3Al6Al1.432Ti0.080Fe2+0.073Mn2+0.428Li0.996Na0.649Ca0.067O27(OH)3.897F0.113 (Na0.78Li0.996Ti0.08Mn0.495Al7.432Si5.618B0.382[BO3]3O18[OH]3.897F0.113) Crystal Structure

General Information

  • Phase Label(s): Na0.78Li0.996Ti0.08Mn0.495Al7.432Si5.618B0.382[BO3]3O18[OH]3.897F0.113
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): elbaite/tsilaisite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, borate, silicate, fluoride
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 1109 reflections, R = 0.0315; wR = 0.0792
  • Sample Detail(s): elbaite sample from Myanmar (Burma), Shan State, Momeik, Kat Chay mine, electron microprobe analysis, Mössbauer spectroscopy; Si5.618B0.382B3Al6Al1.432Ti0.080Fe2+0.073Mn2+0.428Li0.996Na0.649Ca0.067O27[OH]3.897F0.113, single crystal (determination of cell parameters), single crystal, 0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.781Li1.021Ti0.082Mn0.439Al7.458Si5.618B0.382[BO3]3O18[OH]3.897F0.103
  • Alphabetic Formula: Al7.458B0.382[BO3]3F0.103Li1.021Mn0.439Na0.781O18[OH]3.897Si5.618Ti0.082
  • Published Formula: Si5.618B0.382B3Al6Al1.432Ti0.080Fe2+0.073Mn2+0.428Li0.996Na0.649Ca0.067O27(OH)3.897F0.113
  • Refined Formula: Al7.42B3.38Ca0.07Fe0.07H4LiMn0.43Na0.65O31Si5.62Ti0.08
  • Wyckoff Sequence: 160,c6b6a
  • 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

Displacement Parameters

Isotropic

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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1222273

  • 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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