Inorganic Solid Phases

(Si5.736B0.186Al0.078)Al6(Al1.506Ti0.014Fe2+0.029Mn2+0.085Li1.367)(Na0.662Ca0.236)O18(BO3)3(OH)3.308F0.692 (Na0.57Li1.26Ca0.14Mn0.29Al7.61Si6[BO3]3O18.50[OH]2.87F0.63) Crystal Structure

General Information

  • Phase Label(s): Na0.57Li1.26Ca0.14Mn0.29Al7.61Si6[BO3]3O18.50[OH]2.87F0.63
  • 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 (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): positions of non-H and part of H atoms determined, least-squares refinement, R = 0.0175; wR = 0.0449
  • Sample Detail(s): elbaite sample from Myanmar (Burma), Mogok, Momeik, electron microprobe analysis; (Si5.736B0.186Al0.078)Al6(Al1.506Ti0.014Fe2+0.029Mn2+0.085Li1.367)(Na0.662Ca0.236)O18[BO3]3[OH]3.308F0.692, single crystal (determination of cell parameters), single crystal, 0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.7Li1.4Ca0.2Mn0.15Al7.6Si5.7B0.2[BO3]3O18[OH]3.3F0.7
  • Alphabetic Formula: Al7.6B0.2[BO3]3Ca0.2F0.7Li1.4Mn0.15Na0.7O18[OH]3.3Si5.7
  • Published Formula: (Si5.736B0.186Al0.078)Al6(Al1.506Ti0.014Fe2+0.029Mn2+0.085Li1.367)(Na0.662Ca0.236)O18(BO3)3(OH)3.308F0.692
  • Refined Formula: Al7.58B3.19Ca0.24F0.69Fe0.03H3.31Li1.37Mn0.08Na0.66O30.31Si5.74Ti0.02
  • 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_1226508

  • 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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