Inorganic Solid Phases

[Te32Ni30Cl2.67O90][Ni4.48Cl15.78] (Ni33.1Te32Cl14.21O90, T = 153 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ni33.1Te32Cl14.21O90
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI472
  • Space Group: 204
  • Phase Prototype: Ni34.48Te32Cl18.45O90
  • Measurement Detail(s): automatic diffractometer; 8192 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 153 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): chloride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 109 variables; 1554 reflections; I > 2σ(I), R = 0.0278; wR = 0.0486
  • Sample Detail(s): sample prepared from NiO, NiCl2, TeO2, energy-dispersive X-ray analysis; O content not analyzed: 40.4(17) at.% Ni, 39.0(14) at.% Te, 20.5(19) at.% Cl, single crystal (determination of cell parameters), single crystal, 0.100×0.119×0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni34.48Te32Cl18.45O90
  • Alphabetic Formula: Cl18.45Ni34.48O90Te32
  • Published Formula: [Te32Ni30Cl2.67O90][Ni4.48Cl15.78]
  • Refined Formula: Cl18.45Ni34.49O90Te32
  • Wyckoff Sequence: 204,h4g8f2e2d2ba
  • Z Formula Units: 2
  • Density: ρ = 5.04 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1820992

  • 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