Inorganic Solid Phases

[Zn(NH3)4]8{Zn[Re3Mo3S8(CN)6]3}·9H2O (Zn9Mo9Re9S24[CN]18[NH3]32[H2O]9, T = 150.0(2) K) Crystal Structure

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General Information

  • Phase Label(s): Zn9Mo9Re9S24[CN]18[NH3]32[H2O]9
  • Structure Class(es): Prussian blue
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cP143
  • Space Group: 221
  • Phase Prototype: Zn9(Mo0.5Re0.5)18S24[CN]18[NH3]32[H2O]9
  • Measurement Detail(s): automatic diffractometer; 1341 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II DUO (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 150.0(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): cyanide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 47 variables; 855 reflections; I > 2σ(I), R = 0.0380; wR = 0.1217
  • Sample Detail(s): sample prepared from ZnCl2, NH3, CaK4(Re3Mo3S8[CN]6)[H2O]8, single crystal (determination of cell parameters), single crystal, 0.07×0.11×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Zn9Mo9Re9S24[CN]18[NH3]32[H2O]9
  • Alphabetic Formula: [CN]18[H2O]9[NH3]32Mo9Re9S24Zn9
  • Published Formula: [Zn(NH3)4]8{Zn[Re3Mo3S8(CN)6]3}·9H2O
  • Refined Formula: C18H114Mo9N50O9Re9S24Zn9
  • Wyckoff Sequence: 221,mkj4hg2e3a
  • Z Formula Units: 1
  • Density: ρ = 2.50 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]

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_1643402

  • 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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