Inorganic Solid Phases

Na0.944Mg2.20V0.153Cr3.97Al2.7Si5.9[BO3]3O18.6[OH]3F0.4 (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]3F
  • 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; K0.014Na0.83Ca0.10Mg2.19Zn0.008Ti0.030V0.15Cr3.9Fe0.03Al2.7Si5.9[BO3]3O18.8[OH]2.8F0.4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.944Mg2.20V0.153Cr3.97Al2.7Si5.9[BO3]3O18.6[OH]3F0.4
  • Alphabetic Formula: Al2.7[BO3]3Cr3.97F0.4Mg2.20Na0.944O18.6[OH]3Si5.9V0.153
  • Published Formula: Na0.944Mg2.20V0.153Cr3.97Al2.7Si5.9[BO3]3O18.6[OH]3F0.4
  • Refined Formula: Al2.68B3Cr3.97F0.39H3Mg2.37Na0.94O30.61Si5.98
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.26 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_1121164

  • 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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