Inorganic Solid Phases

[(CO)5Mn-S-CF=N-SF5] (MnCS2NF6[CO]5) Crystal Structure

General Information

  • Phase Label(s): MnCS2NF6[CO]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP84
  • Space Group: 62
  • Phase Prototype: MnCS2NF6[CO]5
  • Measurement Detail(s): automatic diffractometer; STOE 4-circle (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 109 variables; 876 reflections; I > 3σ(I), R = 0.036; wR = 0.032
  • Sample Detail(s): sample prepared from NaMn[CO]5, Cl2C=N-SF5, amounts of Mn2[CO]10, single crystal, 0.4×0.4×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: MnCS2NF6[CO]5
  • Alphabetic Formula: C[CO]5F6MnNS2
  • Published Formula: [(CO)5Mn-S-CF=N-SF5]
  • Refined Formula: C6F6MnNO5S2
  • Wyckoff Sequence: 62,d6c9
  • Z Formula Units: 4
  • Density: ρ = 2.06 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_1711891

  • 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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