Inorganic Solid Phases

Si5.283B0.717B3Al6Al1.759Ti0.045Fe2+0.184Mn2+0.113Li0.899Na0.581Ca0.092O27(OH)3.922F0.078 (Na0.875LiCa0.125Mn0.096Fe0.096Al7.808Si6[BO3]3O18[OH]4) Crystal Structure

General Information

  • Phase Label(s): Na0.875LiCa0.125Mn0.096Fe0.096Al7.808Si6[BO3]3O18[OH]4
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): elbaite
  • 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, silicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 1094 reflections, R = 0.0171; wR = 0.0448
  • Sample Detail(s): elbaite sample from Myanmar (Burma), Shan State, Momeik, Kat Chay mine, electron microprobe analysis, Mössbauer spectroscopy; Si5.283B0.717B3Al6Al1.759Ti0.045Fe2+0.184Mn2+0.113Li0.899Na0.581Ca0.092O27[OH]3.922F0.078, single crystal (determination of cell parameters), single crystal, 0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.661Li0.913Ca0.092Mn0.115Fe0.187Al7.785Si5.283B0.717[BO3]3O18[OH]4
  • Alphabetic Formula: Al7.785B0.717[BO3]3Ca0.092Fe0.187Li0.913Mn0.115Na0.661O18[OH]4Si5.283
  • Published Formula: Si5.283B0.717B3Al6Al1.759Ti0.045Fe2+0.184Mn2+0.113Li0.899Na0.581Ca0.092O27(OH)3.922F0.078
  • Refined Formula: Al7.76B3.71Ca0.09Fe0.18H4Li0.90Mn0.11Na0.58O31Si5.29Ti0.05
  • 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_1222270

  • 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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