Inorganic Solid Phases

Cu2(NH3)8[Mo(CN)8] (Cu2Mo[CN]8[NH3]8 mon1, T = 173(2) K) Crystal Structure

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General Information

  • Phase Label(s): Cu2Mo[CN]8[NH3]8 mon1
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS108
  • Space Group: 9
  • Phase Prototype: Cu2Mo[CN]8[NH3]8
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 173(2) K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 264 variables; 3675 reflections; F > 3σ(F), R = 0.0369; wR = 0.0432
  • Sample Detail(s): sample prepared from K4Mo[CN]8[H2O]2, CuCl2, NH3, chemical analysis; 16.8 wt.% C, 4.0 wt.% H, 38.2 wt.% N, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2Mo[CN]8[NH3]8
  • Alphabetic Formula: [CN]8Cu2Mo[NH3]8
  • Published Formula: Cu2(NH3)8[Mo(CN)8]
  • Refined Formula: C8Cu2H24MoN16
  • Wyckoff Sequence: 9,a27
  • Z Formula Units: 4
  • Density: ρ = 1.82 Mg·m−3
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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_1709617

  • 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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