Inorganic Solid Phases

TlAu(CN)2 (AuTl[CN]2, T = 5 K) Crystal Structure

General Information

  • Phase Label(s): AuTl[CN]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP96
  • Space Group: 60
  • Phase Prototype: AuTl[CN]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Switzerland, Würenlingen, Paul Scherrer Institute, SAPHIR reactor (determination of structural parameters), neutrons; λ = 0.17100 nm (determination of cell and structural parameters), T = 5 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 53 variables, wRP = 0.0628; RB = 0.0344
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: AuTl[CN]2
  • Alphabetic Formula: Au[CN]2Tl
  • Published Formula: TlAu(CN)2
  • Refined Formula: AuC2N2Tl
  • Wyckoff Sequence: 60,d7c10
  • Z Formula Units: 16
  • Density: ρ = 6.22 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_1411434

  • 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

    Citation copied