Inorganic Solid Phases

[{(NH3)6(H2O)(OH)Mo3CuS4(O)}2]Cl4·8H2O (CuMo3S4Cl2O[OH][NH3]6[H2O]5) Crystal Structure

General Information

  • Phase Label(s): CuMo3S4Cl2O[OH][NH3]6[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP92
  • Space Group: 14
  • Phase Prototype: CuMo3S4Cl2O[OH][NH3]6[H2O]5
  • Measurement Detail(s): automatic diffractometer; Rigaku AFC6S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293.2 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, chloride, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 198 variables; 2108 reflections; I > 3σ(I), R = 0.053; wR = 0.067
  • Sample Detail(s): sample prepared from Cu, (Mo3S4[H2O]10)4+, chemical analysis; 10.83 wt.% N, 3.42 wt.% H, 9.82 wt.% Cl, single crystal, 0.13×0.28×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuMo3S4Cl2O[OH][NH3]6[H2O]5
  • Alphabetic Formula: Cl2Cu[H2O]5Mo3[NH3]6O[OH]S4
  • Published Formula: [{(NH3)6(H2O)(OH)Mo3CuS4(O)}2]Cl4·8H2O
  • Refined Formula: Cl2CuH29Mo3N6O7S4
  • Wyckoff Sequence: 14,e23
  • Z Formula Units: 4
  • Density: ρ = 2.41 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1024094

  • 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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