Inorganic Solid Phases

Cs0.82[Pd{S2C2(CN)2}2]·0.5H2O (Cs1.64Pd2C8S8[CN]8[H2O]) Crystal Structure

General Information

  • Phase Label(s): Cs1.64Pd2C8S8[CN]8[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP148
  • Space Group: 62
  • Phase Prototype: Cs1.64Pd2C8S8[CN]8[H2O]
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, carbide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, full-matrix least-squares refinement; 178 variables; 1419 reflections; I > 1.5σ(I), R = 0.067; wR = 0.058
  • Sample Detail(s): sample prepared from Cs2Pd(S2C2[CN]2)2[H2O], urea, chemical analysis; 18.65 wt.% C, 0.20 wt.% H, 19.9 wt.% Cs, 10.6 wt.% N, 19.5 wt.% Pd, single crystal, 0.05×0.2×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs1.64Pd2C8S8[CN]8[H2O]
  • Alphabetic Formula: C8[CN]8Cs1.64[H2O]Pd2S8
  • Published Formula: Cs0.82[Pd{S2C2(CN)2}2]·0.5H2O
  • Refined Formula: C16Cs1.64H2N8OPd2S8
  • Wyckoff Sequence: 62,d17c3
  • Z Formula Units: 4
  • Density: ρ = 2.46 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_1905972

  • 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

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