Inorganic Solid Phases

Ca[Li2Al]Al6Si6O18(BO3)3(OH)4 (Na0.4Li1.8Ca0.6Al7.2Si6[BO3]3O18[OH]4) Crystal Structure

General Information

  • Phase Label(s): Na0.4Li1.8Ca0.6Al7.2Si6[BO3]3O18[OH]4
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): fluor-liddicoatite
  • Pearson Symbol: hR156
  • Space Group: 160
  • Phase Prototype: (Na0.4Ca0.6)(Li0.6Al0.4)3Al6Si6[BO3]3O18[OH]4
  • Measurement Detail(s): automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1495 reflections; I > 3σ(I), R = 0.021; wR = 0.028
  • Sample Detail(s): liddicoatite sample from Madagascar (Malagasy Republic), Fianarantsoa district, chemical analysis; 37.22 wt.% SiO2, 0.07 wt.% TiO2, 10.93 wt.% B2O3, 38.03 wt.% Al2O3, 0.10 wt.% FeO, 4.06 wt.% MnO, 0.18 wt.% MgO, 1.86 wt.% Li2O, 2.63 wt.% CaO, 1.40 wt.% Na2O, 0.02 wt.% K2O, 0.64 wt.% F, 3.17 wt.% H2O, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.4Li1.8Ca0.6Al7.2Si6[BO3]3O18[OH]4
  • Alphabetic Formula: Al7.2[BO3]3Ca0.6Li1.8Na0.4O18[OH]4Si6
  • Published Formula: Ca[Li2Al]Al6Si6O18(BO3)3(OH)4
  • Refined Formula: Al6.72B3Ca0.48H3Li1.59Na0.41O31.26Si5.88
  • Wyckoff Sequence: 160,c5b7a
  • Z Formula Units: 3
  • Density: ρ = 3.01 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1908618

  • 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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