Inorganic Solid Phases

NH4[Cu(S2CNH2)2]·H2O ([NH4]Cu[CS2NH2]2[H2O], T = 200(2) K) Crystal Structure

General Information

  • Phase Label(s): [NH4]Cu[CS2NH2]2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS44
  • Space Group: 20
  • Phase Prototype: [NH4]Cu[CS2NH2]2[H2O]
  • Measurement Detail(s): automatic diffractometer; STOE IPDS I (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters), T = 200(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): dithiocarbamate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 64 variables; F > 4σ(F), R = 0.0297; wR = 0.0757
  • Sample Detail(s): sample prepared from ammonium dithiocarbamate, KCN, CuSO4[H2O]5, chemical analysis; 8.49 wt.% C, 3.03 wt.% H, 14.4 wt.% N, 45.0 wt.% S, single crystal, 0.03×0.06×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]Cu[CS2NH2]2[H2O]
  • Alphabetic Formula: [CS2NH2]2Cu[H2O][NH4]
  • Published Formula: NH4[Cu(S2CNH2)2]·H2O
  • Refined Formula: C2CuH10N3OS4
  • Wyckoff Sequence: 20,c5b
  • 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

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_1024604

  • 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