Inorganic Solid Phases

V-bearing uvite (sample T76) (Na0.3Ca0.6Mg3.3V0.1Al5.8Si5.8[BO3]3O18[OH]3.22F0.78) Crystal Structure

General Information

  • Phase Label(s): Na0.3Ca0.6Mg3.3V0.1Al5.8Si5.8[BO3]3O18[OH]3.22F0.78
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): uvite
  • 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; 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; 1126 reflections; F > 5σ(F), R = 0.0217; wR = 0.0365
  • Sample Detail(s): uvite sample from East Africa, electron microprobe analysis; 36.10 wt.% SiO2, 0.17 wt.% TiO2, 30.37 wt.% Al2O3, 10.80 wt.% B2O3, 0.85 wt.% V2O3, 0.07 wt.% Cr2O3, 13.33 wt.% MgO, 3.45 wt.% CaO, 1.16 wt.% Na2O, 0.14 wt.% Li2O, 3 wt.% H2O, 1.54 wt.% F, single crystal (determination of cell parameters), single crystal, 0.38 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.3Ca0.6Mg3.3V0.1Al5.8Si5.8[BO3]3O18[OH]3.22F0.78
  • Alphabetic Formula: Al5.8[BO3]3Ca0.6F0.78Mg3.3Na0.3O18[OH]3.22Si5.8V0.1
  • Published Formula: V-bearing uvite (sample T76)
  • Refined Formula: Al5.76B3Ca0.60F0.78H3.22Li0.09Mg3.20Na0.36O30.22Si5.81Ti0.02V0.12
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.06 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_1012305

  • 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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