Inorganic Solid Phases

(Ca0.65Na0.35)(Li1.40Al1.60)Al6[(O,OH,F)4(BO3)3Si6O18] (Na0.35Li1.40Ca0.65Al7.60Si6[BO3]3O18.85[OH]1.57F1.58) Crystal Structure

General Information

  • Phase Label(s): Na0.35Li1.40Ca0.65Al7.60Si6[BO3]3O18.85[OH]1.57F1.58
  • 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; Syntex R3 (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1583 reflections; I > 2.5σ(I), R = 0.033; wR = 0.033
  • Sample Detail(s): liddicoatite sample from Madagascar (Malagasy Republic), sample prepared from liddicoatite, chemical analysis; (Ca0.65Na0.35)(Li1.40Al1.60)Al6((O,OH,F)4[BO3]3Si6O18), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.35Li1.40Ca0.65Al7.60Si6[BO3]3O18.85[OH]1.57F1.58
  • Alphabetic Formula: Al7.60[BO3]3Ca0.65F1.58Li1.40Na0.35O18.85[OH]1.57Si6
  • Published Formula: (Ca0.65Na0.35)(Li1.40Al1.60)Al6[(O,OH,F)4(BO3)3Si6O18]
  • Refined Formula: Al7.91B3Ca0.83O31Si6
  • Wyckoff Sequence: 160,c5b6a2
  • 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1720305

  • 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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