Inorganic Solid Phases

Na0.977Mg2.25V0.26Cr4.25Al2.4Si5.9[BO3]3O18.67[OH]3F0.33 (Na0.95Mg1.95V3.58Cr1.88Al1.64Si5.95[BO3]3O18.95[OH]2.91F0.14) Crystal Structure

General Information

  • Phase Label(s): Na0.95Mg1.95V3.58Cr1.88Al1.64Si5.95[BO3]3O18.95[OH]2.91F0.14
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): vanadio-oxy-chromium-dravite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18([OH]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer; 13 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; I > 2σ(I), R = 0.0183
  • Sample Detail(s): tourmaline group sample from Russia, Lake Baikal, electron microprobe analysis; K0.017Na0.89Ca0.07Mg2.24Ti0.032V0.25Cr4.2Fe0.031Al2.4Si5.9[BO3]3O18.67[OH]3.0F0.33, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.977Mg2.25V0.26Cr4.25Al2.4Si5.9[BO3]3O18.67[OH]3F0.33
  • Alphabetic Formula: Al2.4[BO3]3Cr4.25F0.33Mg2.25Na0.977O18.67[OH]3Si5.9V0.26
  • Published Formula: Na0.977Mg2.25V0.26Cr4.25Al2.4Si5.9[BO3]3O18.67[OH]3F0.33
  • Refined Formula: Al2.36B3Cr4.08F0.33H3Mg2.33Na0.98O30.67Si5.98V0.25
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.28 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_1121162

  • 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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