Inorganic Solid Phases

V-bearing uvite (sample T75) (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; 1125 reflections; F > 5σ(F), R = 0.0199; wR = 0.0335
  • Sample Detail(s): uvite sample from East Africa, electron microprobe analysis; 34.06 wt.% SiO2, 0.28 wt.% TiO2, 31.92 wt.% Al2O3, 10.66 wt.% B2O3, 0.45 wt.% V2O3, 0.05 wt.% Cr2O3, 12.79 wt.% MgO, 4.40 wt.% CaO, 0.65 wt.% Na2O, 0.17 wt.% Li2O, 3 wt.% H2O, 1.43 wt.% F, single crystal (determination of cell parameters), single crystal, 0.40 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.20Li0.11Ca0.77Mg3.21Al6.13Si5.55[BO3]3O18[OH]3.26F0.74
  • Alphabetic Formula: Al6.13[BO3]3Ca0.77F0.74Li0.11Mg3.21Na0.20O18[OH]3.26Si5.55
  • Published Formula: V-bearing uvite (sample T75)
  • Refined Formula: Al6.13B3Ca0.77F0.74H3.26Li0.11Mg3.11Na0.20O30.26Si5.55Ti0.03V0.07
  • 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_1012304

  • 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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