Inorganic Solid Phases

(Si5.775B0.225)Al6(Al1.566Ti0.024Fe2+0.032Mn2+0.043Li1.333)(Na0.547Ca0.199)O18(BO3)3(OH)3.583F0.417 (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 P3 (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 = 0.0168; wR = 0.0433
  • Sample Detail(s): elbaite sample from Myanmar (Burma), Mogok, Momeik, electron microprobe analysis; (Si5.775B0.225)Al6(Al1.566Ti0.024Fe2+0.032Mn2+0.043Li1.333)(Na0.547Ca0.199)O18[BO3]3[OH]3.583F0.417, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Li1.3Ca0.2Mn0.1Al7.6Si5.8B0.2[BO3]3O18[OH]3.6F0.4
  • Alphabetic Formula: Al7.6B0.2[BO3]3Ca0.2F0.4Li1.3Mn0.1Na0.5O18[OH]3.6Si5.8
  • Published Formula: (Si5.775B0.225)Al6(Al1.566Ti0.024Fe2+0.032Mn2+0.043Li1.333)(Na0.547Ca0.199)O18(BO3)3(OH)3.583F0.417
  • Refined Formula: Al7.57B3.22Ca0.20F0.42Fe0.03H3.58Li1.34Mn0.04Na0.55O30.58Si5.78Ti0.02
  • Wyckoff Sequence: 160,c6b6a
  • Z Formula Units: 3
  • Density: ρ = 3.05 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_1226504

  • 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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