Inorganic Solid Phases

buergerite (specimen 43,293) (Na0.91MgTi0.11Fe1.23Al6.72Si5.96[BO3]3O18.81[OH]3.09F0.1) Crystal Structure

General Information

  • Phase Label(s): Na0.91MgTi0.11Fe1.23Al6.72Si5.96[BO3]3O18.81[OH]3.09F0.1
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): oxy-schorl
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer (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, R = 0.0177; wR = 0.0211
  • Sample Detail(s): buergerite sample from Mexico, Durango, Vinagrillos Hills, Mapimi, electron microprobe analysis; 33.46 wt.% SiO2, 10.14 wt.% B2O3, 30.70 wt.% Al2O3, 12.37 wt.% Fe2O3, 5.98 wt.% FeO, 0.11 wt.% MnO, 0.16 wt.% MgO, 0.20 wt.% CaO, 2.49 wt.% Na2O, 0.07 wt.% K2O, 1.15 wt.% H2O, 1.32 wt.% F, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.96Mg0.06Ti0.07Fe2.53Al6.41Si5.83B0.10[BO3]3O20.42[OH]0.84F0.74
  • Alphabetic Formula: Al6.41B0.10[BO3]3F0.74Fe2.53Mg0.06Na0.96O20.42[OH]0.84Si5.83Ti0.07
  • Published Formula: buergerite (specimen 43,293)
  • Refined Formula: Al6.41B3.10F0.74Fe2.53H0.84Mg0.06Na0.96O30.26Si5.83Ti0.07
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.29 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_1012332

  • 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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