Inorganic Solid Phases

Te4{Cr(CO)5}4 (CrTe[CO]5) Crystal Structure

General Information

  • Phase Label(s): CrTe[CO]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP192
  • Space Group: 14
  • Phase Prototype: CrTe[CO]5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 433 variables; 3730 reflections; I > 2.5σ(I), R = 0.061; wR = 0.047
  • Sample Detail(s): sample prepared from Cr[CO]5, [(C5(CH3)5)2Nb(Te2H)], chemical analysis; 19.40 wt.% C, single crystal (determination of cell parameters), single crystal, 0.10×0.25×0.60 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CrTe[CO]5
  • Alphabetic Formula: [CO]5CrTe
  • Published Formula: Te4{Cr(CO)5}4
  • Refined Formula: C5CrO5Te
  • Wyckoff Sequence: 14,e48
  • Z Formula Units: 16
  • Density: ρ = 2.39 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
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_1218584

  • 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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