Inorganic Solid Phases

V-bearing uvite (sample T73) (Na0.23Li0.51Ca0.77Mg2.49Al6Si6[BO3]3O18.23[OH]3F0.77) Crystal Structure

General Information

  • Phase Label(s): Na0.23Li0.51Ca0.77Mg2.49Al6Si6[BO3]3O18.23[OH]3F0.77
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): uvite
  • Pearson Symbol: hR153
  • Space Group: 160
  • Phase Prototype: Na0.23Li0.51Ca0.77Mg2.49Al6Si6[BO3]3O18.23[OH]3F0.77
  • 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; 1129 reflections; F > 5σ(F), R = 0.0218; wR = 0.0384
  • Sample Detail(s): uvite sample from East Africa, electron microprobe analysis; 34.47 wt.% SiO2, 0.23 wt.% TiO2, 30.42 wt.% Al2O3, 10.58 wt.% B2O3, 0.18 wt.% V2O3, 0.04 wt.% Cr2O3, 13.58 wt.% MgO, 4.33 wt.% CaO, 0.72 wt.% Na2O, 0.08 wt.% Li2O, 2.89 wt.% H2O, 1.60 wt.% F, single crystal (determination of cell parameters), single crystal, 0.38 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.23Li0.06Ca0.76Mg3.39Al5.89Si5.66[BO3]3O18[OH]3.17F0.83
  • Alphabetic Formula: Al5.89[BO3]3Ca0.76F0.83Li0.06Mg3.39Na0.23O18[OH]3.17Si5.66
  • Published Formula: V-bearing uvite (sample T73)
  • Refined Formula: Al5.89B3Ca0.76F0.83H3.17Li0.06Mg3.33Na0.23O30.17Si5.66Ti0.03V0.03
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1012302

  • 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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