Inorganic Solid Phases

Na0.8Al2.9Al6[Si3.8B2.2O18](B3O9)(OH,O)4 (Na0.7Al8.9Si4.2B1.8[BO3]3O18.6[OH]3.4) Crystal Structure

General Information

  • Phase Label(s): Na0.7Al8.9Si4.2B1.8[BO3]3O18.6[OH]3.4
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18[OH]3F
  • Measurement Detail(s): automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, borate, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 42 variables; 126 reflections, wRP = 0.023; RB = 0.018
  • Sample Detail(s): chemical analysis; composition confirmed; B content 2.3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.8Al8.9Si3.8B2.2[BO3]3O18.3[OH]3.7
  • Alphabetic Formula: Al8.9B2.2[BO3]3Na0.8O18.3[OH]3.7Si3.8
  • Published Formula: Na0.8Al2.9Al6[Si3.8B2.2O18](B3O9)(OH,O)4
  • Refined Formula: Al8.88B5.22H4Na0.77O31Si3.78
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.10 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1908586

  • 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)

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