Inorganic Solid Phases

Ca(Li2Al)Al6(Si6O18)(BO3)3(OH)3F (Na0.3Li1.5Ca0.6Fe0.12Al7.25Si6[BO3]3O18[OH]3.3F0.7) Crystal Structure

General Information

  • Phase Label(s): Na0.3Li1.5Ca0.6Fe0.12Al7.25Si6[BO3]3O18[OH]3.3F0.7
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): fluor-liddicoatite
  • 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): complete structure determined, least-squares refinement; 1104 reflections; F > 4σ(F), R = 0.0168; wR = 0.0603
  • Sample Detail(s): liddicoatite sample from Madagascar (Malagasy Republic), Anjanabonoina, electron microprobe analysis; (Ca0.638Na0.284Pb2+0.0060.072)(Ti4+0.007Al1.251Fe3+0.011Fe2+0.121Mg0.014Mn2+0.031Li1.565)Al6Si5.929O18[BO3]3[OH]3.332F0.668, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.3Li1.5Ca0.6Fe0.12Al7.25Si6[BO3]3O18[OH]3.3F0.7
  • Alphabetic Formula: Al7.25[BO3]3Ca0.6F0.7Fe0.12Li1.5Na0.3O18[OH]3.3Si6
  • Published Formula: Ca(Li2Al)Al6(Si6O18)(BO3)3(OH)3F
  • Refined Formula: Al7.25B3Ca0.64F0.67Fe0.13H3.33Li1.57Mg0.02Mn0.03Na0.28O30.33Pb0.01Si6Ti0.01
  • 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_1226253

  • 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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