Inorganic Solid Phases

Cu2[Mo(CN)8]·4H2O (Cu2Mo[CN]8[H2O]4, T = 90 K) Crystal Structure

General Information

  • Phase Label(s): Cu2Mo[CN]8[H2O]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP184
  • Space Group: 60
  • Phase Prototype: Cu2Mo[CN]8[H2O]4
  • Measurement Detail(s): automatic diffractometer; 24924 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 90 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 209 variables; 3605 reflections, R = 0.037; wR = 0.099
  • Sample Detail(s): sample prepared from CuCl2[H2O]2, K4[Mo[CN]8][H2O]2, chemical analysis; C/H/N/Cu/Mo ratio 18.8/1.6/22.6/25.3/19.1, single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2Mo[CN]8[H2O]4
  • Alphabetic Formula: [CN]8Cu2[H2O]4Mo
  • Published Formula: Cu2[Mo(CN)8]·4H2O
  • Refined Formula: C8Cu2H8MoN8O4
  • Wyckoff Sequence: 60,d22c2
  • Z Formula Units: 8
  • Density: ρ = 2.13 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1421571

  • 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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