Inorganic Solid Phases

(Na,Ca)(Mg1.71Cr1.29)(Al3.92Mg1.19Cr0.89)[(O,OH)4(BO3)3(Si,Al)6O18] (NaMg2.90Cr2.18Al3.92Si6[BO3]3O18.1[OH]3.9) Crystal Structure

General Information

  • Phase Label(s): NaMg2.90Cr2.18Al3.92Si6[BO3]3O18.1[OH]3.9
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): dravite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): Debye-Scherrer film (determination of cell parameters), automatic diffractometer; Siemens AED (determination of structural parameters), X-rays, Fe Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.033
  • Sample Detail(s): tourmaline group sample from India, Orissa State, Nausahi, sample prepared from tourmaline, chemical analysis, electron microprobe analysis; (Na0.84Ca0.16K0.02)(Mg2.46Fe0.14Mn0.02Al0.38)(Cr2.48Fe0.24Al4.06)B2.91(Si5.77Ti0.01Al0.22)O29.38OH1.62, powder (determination of cell parameters), single crystal, 0.08 mm diameter, 0.24 mm (determination of structural parameters)

Substance Summary

  • Standard Formula: NaMg2.90Cr2.18Al3.92Si6[BO3]3O18.1[OH]3.9
  • Alphabetic Formula: Al3.92[BO3]3Cr2.18Mg2.90NaO18.1[OH]3.9Si6
  • Published Formula: (Na,Ca)(Mg1.71Cr1.29)(Al3.92Mg1.19Cr0.89)[(O,OH)4(BO3)3(Si,Al)6O18]
  • Refined Formula: Al3.92B2.55Cr2.18H4Mg2.90NaO31Si5.64
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.13 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_1714283

  • 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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