Inorganic Solid Phases

Cu(NCNH2)Cl (CuCl[NCNH2]) Crystal Structure

General Information

  • Phase Label(s): CuCl[NCNH2]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: CuCl[NCNH2]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber G670 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 22 variables; 248 reflections, RP = 0.072; wRP = 0.102; RB = 0.18
  • Sample Detail(s): sample prepared from CuCl2[H2O]2, H2NCN, Na2SO3, chemical analysis; 44.76 wt.% Cu, 8.32 wt.% C, 2.01 wt.% H, 19.34 wt.% N, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuCl[NCNH2]
  • Alphabetic Formula: ClCu[NCNH2]
  • Published Formula: Cu(NCNH2)Cl
  • Refined Formula: CClCuH2N2
  • Wyckoff Sequence: 62,c5
  • Z Formula Units: 4
  • Density: ρ = 2.43 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

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1931032

  • 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

    Citation copied