Inorganic Solid Phases

(Na0.36K0.01Sr0.01Ca0.64)(Mg3.44Al5.45Ti0.05V0.02)(Al0.16B2.85Si5.99)[(OH)3.29F0.44O27.27] (Na0.4Ca0.6Mg3.6Al5.6Si5.8[BO3]3O18.5[OH]3F0.5) Crystal Structure

General Information

  • Phase Label(s): Na0.4Ca0.6Mg3.6Al5.6Si5.8[BO3]3O18.5[OH]3F0.5
  • 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): Guinier film (determination of cell parameters), diffractometer; Siemens AED (determination of structural parameters), X-rays, Fe Kα1 (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1401 reflections, R = 0.038
  • Sample Detail(s): tourmaline group sample from Tanzania, Landanai, Uvit, sample prepared from tourmaline, electron microprobe analysis, spectroscopy; (Na0.36K0.01Sr0.01Ca0.64)(Mg3.44Al5.45Ti0.05V0.02)(Al0.16B2.85Si5.99)([OH]3.29F0.44O27.27), powder (determination of cell parameters), single crystal, 0.2×0.5×0.6 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.36Ca0.64Mg3.44Al5.73Si6[BO3]2.85O18.72[OH]3.29F0.44
  • Alphabetic Formula: Al5.73[BO3]2.85Ca0.64F0.44Mg3.44Na0.36O18.72[OH]3.29Si6
  • Published Formula: (Na0.36K0.01Sr0.01Ca0.64)(Mg3.44Al5.45Ti0.05V0.02)(Al0.16B2.85Si5.99)[(OH)3.29F0.44O27.27]
  • Refined Formula: Al5.52B3Ca0.64Mg3.48Na0.36O31Si6
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.04 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1720299

  • 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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