Inorganic Solid Phases

Na0.480Li0.342Ca0.241Be0.031Fe0.190Al8.52Si5.132B0.542[BO3]3O18.68[OH]3.32 (Na0.545Li0.226Ca0.245Be0.023Fe0.669Al8.15Si5.354B0.353[BO3]3O18.75[OH]3.25) Crystal Structure

General Information

  • Phase Label(s): Na0.545Li0.226Ca0.245Be0.023Fe0.669Al8.15Si5.354B0.353[BO3]3O18.75[OH]3.25
  • 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; 5854 (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, borate, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 94 variables; I > 4σ(I), R = 0.0137
  • Sample Detail(s): olenite sample from Austria, Styria, Koralpe, chemical analysis; 32.10 wt.% SiO2, 0.07 wt.% TiO2, 12.83 wt.% B2O3, 45.37 wt.% Al2O3, 0.08 wt.% BeO, 1.42 wt.% FeO, 0.05 wt.% MnO, 0.04 wt.% MgO, 1.52 wt.% CaO, 0.53 wt.% Li2O, 1.46 wt.% Na2O, 3.11 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.300 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.480Li0.342Ca0.241Be0.031Fe0.190Al8.52Si5.132B0.542[BO3]3O18.68[OH]3.32
  • Alphabetic Formula: Al8.52B0.542[BO3]3Be0.031Ca0.241Fe0.190Li0.342Na0.480O18.68[OH]3.32Si5.132
  • Published Formula: Na0.480Li0.342Ca0.241Be0.031Fe0.190Al8.52Si5.132B0.542[BO3]3O18.68[OH]3.32
  • Refined Formula: Al8.72B3.57H3Na0.92O31Si5.43
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.09 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_1321062

  • 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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