Inorganic Solid Phases

(Na0.7☐0.3)(Al2.5Li0.4Fe2+0.1)Al6(BO3)3[Si5.2B0.5Al0.3O18][(OH)2.9O0.1][O0.9(OH)0.1] (Na0.7Li0.4Fe0.1Al8.8Si5.2B0.5[BO3]3O19[OH]3) Crystal Structure

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General Information

  • Phase Label(s): Na0.7Li0.4Fe0.1Al8.8Si5.2B0.5[BO3]3O19[OH]3
  • 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): complete structure determined; absolute structure determined, least-squares refinement; 95 variables; 2165 reflections; F > 4σ(F), R = 0.0181; wR = 0.0405
  • Sample Detail(s): olenite sample from synthetic, electron microprobe analysis; (Si5.20B0.54Al0.26)B3.00Al6.00(Al2.47Fe2+0.06Li0.44Ti4+0.03)(Na0.65Ca0.01☐0.34)O28[OH]3.00, single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.7Li0.4Fe0.1Al8.8Si5.2B0.5[BO3]3O19[OH]3
  • Alphabetic Formula: Al8.8B0.5[BO3]3Fe0.1Li0.4Na0.7O19[OH]3Si5.2
  • Published Formula: (Na0.7☐0.3)(Al2.5Li0.4Fe2+0.1)Al6(BO3)3[Si5.2B0.5Al0.3O18][(OH)2.9O0.1][O0.9(OH)0.1]
  • Refined Formula: Al8.61B3.55H3Li0.39Na0.68O31Si5.45
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.09 Mg·m−3
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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_1229302

  • 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)

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