Inorganic Solid Phases

Mo[(CF3)2C2S2]3, Mo(tfd)3 (MoC6[CF3]6S6) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): MoC6[CF3]6S6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP110
  • Space Group: 176
  • Phase Prototype: Mo[CF3]6C6S6
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbide, sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2, R = 0.1036; wR = 0.2836
  • Sample Detail(s): sample prepared from [CF3]2C2S2, Mo[CO]6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mo[CF3]6C6S6
  • Alphabetic Formula: C6[CF3]6MoS6
  • Published Formula: Mo[(CF3)2C2S2]3, Mo(tfd)3
  • Refined Formula: C12F18MoS6
  • Wyckoff Sequence: 176,i9d
  • Z Formula Units: 2
  • Density: ρ = 2.27 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_1812609

  • 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