Inorganic Solid Phases

Tl3BiCl6 Crystal Structure

General Information

  • Phase Label(s): Tl3BiCl6 rt mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): steropesite
  • Pearson Symbol: mS160
  • Space Group: 9
  • Phase Prototype: Tl3BiCl6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 387 variables; 7125 reflections; I > 2σ(I), R = 0.052; wR = 0.109
  • Sample Detail(s): steropesite sample from Italy, Aeolian Islands, Vulcano, La Fossa Crater, electron microprobe analysis; (Tl2.89Na0.01)Bi1.21(Cl5.32Br0.56), single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl3BiCl6
  • Alphabetic Formula: BiCl6Tl3
  • Published Formula: Tl3BiCl6
  • Refined Formula: BiBr0.85Cl5.15Tl3
  • Wyckoff Sequence: 9,a40
  • Z Formula Units: 16
  • Density: ρ = 5.51 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_1223973

  • 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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