Inorganic Solid Phases

NaMn3Al6(Si6O18)(BO3)3(OH)3OH (NaMn3Al6Si6[BO3]3O18[OH]4) Crystal Structure

General Information

  • Phase Label(s): NaMn3Al6Si6[BO3]3O18[OH]4
  • Structure Class(es): tourmaline family
  • Classification by Properties:
  • Mineral Name(s): tsilaisite
  • Pearson Symbol: hR150
  • Space Group: 160
  • Phase Prototype: NaMg3Al6Si6[BO3]3O18([OH]0.75F0.25)4
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, silicate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, least-squares refinement; 92 variables; 1649 reflections; I > 2σ(I), R = 0.0191; wR = 0.0488
  • Sample Detail(s): tsilaisite sample from Italy, Elba Island, San Piero in Campo, Grotta d'Oggi, electron microprobe analysis, mass spectrometry, optical absorption spectroscopy; (Na0.670.30Ca0.02K0.01)(Mn1.34Al1.14Li0.54Ti0.04)Al6(Si5.94Al0.06)B2.91O27[OH]3([OH]0.39F0.41O0.20), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaMn3Al6Si6[BO3]3O18[OH]4
  • Alphabetic Formula: Al6[BO3]3Mn3NaO18[OH]4Si6
  • Published Formula: NaMn3Al6(Si6O18)(BO3)3(OH)3OH
  • Refined Formula: Al6B3H3.99Li1.15Mn1.85Na0.75O30.99Si6
  • Wyckoff Sequence: 160,c6b6a
  • Z Formula Units: 3
  • Density: ρ = 3.33 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1229531

  • 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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