Inorganic Solid Phases

(Na0.70.3)(Al2.5Li0.5)Al6(BO3)3[Si4.8B0.9Al0.3O18](OH)3[(OH)0.5O0.5] (Na0.7Li0.5Al8.8Si4.8B0.9[BO3]3O18.5[OH]3.5) Crystal Structure

General Information

  • Phase Label(s): Na0.7Li0.5Al8.8Si4.8B0.9[BO3]3O18.5[OH]3.5
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): olenite
  • 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)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, borate, silicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; absolute structure determined, least-squares refinement; 95 variables; 1076 reflections; F > 4σ(F), R = 0.0207; wR = 0.0577
  • Sample Detail(s): olenite sample from synthetic, electron microprobe analysis; (Si4.82B0.90Al0.28)B3.00Al6.00(Al2.42Fe2+0.02Li0.53Ti4+0.03)(Na0.69Ca0.010.30)O27.49[OH]3.50F0.01, single crystal (determination of cell parameters), single crystal, 0.07×0.10×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.7Li0.5Al8.8Si4.8B0.9[BO3]3O18.5[OH]3.5
  • Alphabetic Formula: Al8.8B0.9[BO3]3Li0.5Na0.7O18.5[OH]3.5Si4.8
  • Published Formula: (Na0.70.3)(Al2.5Li0.5)Al6(BO3)3[Si4.8B0.9Al0.3O18](OH)3[(OH)0.5O0.5]
  • Refined Formula: Al8.55B3.91H3.50Li0.45Na0.79O31Si5.09
  • Wyckoff Sequence: 160,c5b6a2
  • 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_1229303

  • 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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