Inorganic Solid Phases

(Na0.69K0.01Ca0.15)(Li0.90Mn0.49Mg0.01Fe0.65Al0.84Ti0.11)(BO3)3Si5.86Al6.14O18(OH)3.44F0.56 (Na0.70Li1.22Ca0.08Fe0.45Al7.34Si6[BO3]3O18[OH]3.33F0.67) Crystal Structure

General Information

  • Phase Label(s): Na0.70Li1.22Ca0.08Fe0.45Al7.34Si6[BO3]3O18[OH]3.33F0.67
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): elbaite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18([OH]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (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): positions of non-H atoms determined, full-matrix least-squares refinement; 1079 reflections; F > 5σ(F), R = 0.0243; wR = 0.0334
  • Sample Detail(s): elbaite sample from Zambia (Northern Rhodesia), electron microprobe analysis; (Na0.69K0.01Ca0.15)(Li0.90Mn0.49Mg0.01Fe0.65Al0.84Ti0.11)[BO3]3Si5.86Al6.14O18[OH]3.44F0.56, single crystal (determination of cell parameters), single crystal, 0.20 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.70Li0.90Ca0.15Fe1.15Al7.12Si5.86[BO3]3O18[OH]3.44F0.56
  • Alphabetic Formula: Al7.12[BO3]3Ca0.15F0.56Fe1.15Li0.90Na0.70O18[OH]3.44Si5.86
  • Published Formula: (Na0.69K0.01Ca0.15)(Li0.90Mn0.49Mg0.01Fe0.65Al0.84Ti0.11)(BO3)3Si5.86Al6.14O18(OH)3.44F0.56
  • Refined Formula: Al7.10B3Ca0.15F0.56Fe1.14H3.44Li0.90Na0.70O30.44Si5.86
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.12 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_1014146

  • 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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