Inorganic Solid Phases

TlAlSi3O8 Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): TlAlSi3O8
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS52
  • Space Group: 12
  • Phase Prototype: K(Al0.25Si0.75)4O8
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 64 variables; 462 reflections; F > 4σ(F), R = 0.0733
  • Sample Detail(s): sample prepared from NaAlS3O8, TlNO3, H2O, electron microprobe analysis; Al8.1O61.6Si22.9Tl7.4; 40.63 wt.% SiO2, 12.25 wt.% Al2O3, 46.42 wt.% Tl2O, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: TlAlSi3O8
  • Alphabetic Formula: AlO8Si3Tl
  • Published Formula: TlAlSi3O8
  • Refined Formula: AlO8Si3Tl
  • Wyckoff Sequence: 12,j5i2g
  • Z Formula Units: 4
  • Density: ρ = 3.96 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1520685

  • 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

    Download this citation

    Citation copied