Inorganic Solid Phases

Cr[C(CN)3]2 (Cr[CC3N3]2, T = 2 K) Crystal Structure

General Information

  • Phase Label(s): Cr[CC3N3]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP30
  • Space Group: 53
  • Phase Prototype: Cr[CC3N3]2
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1B (determination of structural parameters), neutrons; λ = 0.2527 nm (determination of structural parameters), T = 2 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): tricyanomethanide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 25 variables; 106 reflections, RP = 0.0246; wRP = 0.0354; RB = 0.0204
  • Sample Detail(s): sample prepared from K(C[CN]3), Cr2(O2CMe)4[H2O]2, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Cr[CC3N3]2
  • Alphabetic Formula: [CC3N3]2Cr
  • Published Formula: Cr[C(CN)3]2
  • Refined Formula: C8CrN6
  • Wyckoff Sequence: 53,i2h3a
  • Z Formula Units: 2
  • Density: ρ = 1.82 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_1904606

  • 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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