Inorganic Solid Phases

(Fe2+,Al)3Al6(BO3)3Si6O18(OH)3OH; (☐0.582Na0.414Ca0.002K0.002)(Fe2+1.64Al1.22Mg0.12Ti0.02)(Al5.76Fe2+0.06Mg0.18)B2.89O9Si6.00O18(OH)3(OH0.54F0.11) (Na0.5Mg0.3Fe1.8Al7Si5.9[BO3]3O18.5[OH]3.4F0.1) Crystal Structure

General Information

  • Phase Label(s): Na0.5Mg0.3Fe1.8Al7Si5.9[BO3]3O18.5[OH]3.4F0.1
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): foitite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 102 variables; 1020 reflections; I > 4σ(I), R = 0.018; wR = 0.025
  • Sample Detail(s): foitite sample from U.S.A. New Mexico, Taos County, Picuris Range, Copper Mountain, electron microprobe analysis; (☐0.68Na0.32)(Fe2+1.71Al0.80Mg0.32Ti0.04Mn0.01)Al6B3O9(Si5.90Al0.10)O18[OH]3([OH]1.89F0.11), single crystal (determination of cell parameters), single crystal, 0.160×0.160×0.200 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.2Mg0.5Fe1.7Al6.8Si6[BO3]3O18[OH]3.9F0.1
  • Alphabetic Formula: Al6.8[BO3]3F0.1Fe1.7Mg0.5Na0.2O18[OH]3.9Si6
  • Published Formula: (Fe2+,Al)3Al6(BO3)3Si6O18(OH)3OH; (☐0.582Na0.414Ca0.002K0.002)(Fe2+1.64Al1.22Mg0.12Ti0.02)(Al5.76Fe2+0.06Mg0.18)B2.89O9Si6.00O18(OH)3(OH0.54F0.11)
  • Refined Formula: Al6.98B2.89Ca0F0.11Fe1.70H3.54K0Mg0.30Na0.41O30.54Si6Ti0.02
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.15 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_1818523

  • 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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