Inorganic Solid Phases

(0.85(5)Li0.15(5))(Al2.31(2)Li0.69(2))Al6(Si5.38(3)B0.62(3))O18(BO3)3(OH)3[(OH)0.85O0.15] (Li0.84Al8.31Si5.38B0.62[BO3]3O18.15[OH]3.85) Crystal Structure

General Information

  • Phase Label(s): Li0.84Al8.31Si5.38B0.62[BO3]3O18.15[OH]3.85
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18([OH]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, borate, silicate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, least-squares refinement on F2; 95 variables; 1074 reflections; F > 4σ(F), R = 0.0162; wR = 0.0419
  • Sample Detail(s): sample prepared from Li2O, γ-Al2O3, SiO2, H3BO3, electron microprobe analysis, mass spectroscopy; (0.67(11)Li0.33(11))(Al2.53(10)Li0.47(10))(Al6)(Si5.42(15)B0.58(15))O18[BO3]3([OH]2.40(3)O1.60(3)), single crystal (determination of cell parameters), single crystal, 0.025×0.035×0.100 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.84Al8.31Si5.38B0.62[BO3]3O18.15[OH]3.85
  • Alphabetic Formula: Al8.31B0.62[BO3]3Li0.84O18.15[OH]3.85Si5.38
  • Published Formula: (0.85(5)Li0.15(5))(Al2.31(2)Li0.69(2))Al6(Si5.38(3)B0.62(3))O18(BO3)3(OH)3[(OH)0.85O0.15]
  • Refined Formula: Al8.31B3.62H3Li0.84O31Si5.38
  • Wyckoff Sequence: 160,c5b6a2
  • Z Formula Units: 3
  • Density: ρ = 3.02 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_1243811

  • 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

    Citation copied