Inorganic Solid Phases

Th(Al0.4Si0.6)1.78 (ThAl0.712Si1.068) Crystal Structure

General Information

  • Phase Label(s): ThAl0.712Si1.068
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI12
  • Space Group: 141
  • Phase Prototype: ThSi2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.089; wRP = 0.138
  • Sample Detail(s): sample prepared from Th, Al, Si, energy-dispersive X-ray analysis; nominal composition Th36Al25.3Si38.7; amounts of ThAl0.09Si0.91 (16 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ThAl0.712Si1.068
  • Alphabetic Formula: Al0.712Si1.068Th
  • Published Formula: Th(Al0.4Si0.6)1.78
  • Refined Formula: Al0.69Si1.09Th
  • Wyckoff Sequence: 141,ea
  • Z Formula Units: 4
  • Density: ρ = 7.48 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1120324

  • 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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