Inorganic Solid Phases

TlBrxCl2−x, x= 0.83 (Tl2Br1.67Cl2.33) Crystal Structure

General Information

  • Phase Label(s): Tl2Br1.67Cl2.33
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP24
  • Space Group: 19
  • Phase Prototype: Tl2Br(Br0.33Cl0.67)2Cl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Hilger-Watts Y290 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, chloride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 467 reflections; I > 3σ(I), R = 0.038
  • Sample Detail(s): sample prepared from TlCl3, TlCl, TlBr3, TlBr, chemical analysis; Br61.51Cl5.05Tl33.45; composition detected as TlCl1.17Br0.83, single crystal (determination of cell parameters), single crystal, 0.28 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl2Br1.67Cl2.33
  • Alphabetic Formula: Br1.67Cl2.33Tl2
  • Published Formula: TlBrxCl2−x, x= 0.83
  • Refined Formula: Br1.66Cl2.34Tl2
  • Wyckoff Sequence: 19,a6
  • Z Formula Units: 4
  • Density: ρ = 5.38 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1712319

  • 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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