Inorganic Solid Phases

Cs3{[Mo33-Te)(μ2-Te2)3(CN)6]I}·2H2O (Cs3Mo3Te7I[CN]6[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Cs3Mo3Te7I[CN]6[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP224
  • Space Group: 14
  • Phase Prototype: Cs3Mo3Te7I[CN]6[H2O]2
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): cyanide, iodide, telluride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 957 reflections; I > 2σ(I), R = 0.0384; wR = 0.0744
  • Sample Detail(s): sample prepared from Mo3Te7I4, KCN, CsCl, methanol, single crystal, 0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3Mo3Te7I[CN]6[H2O]2
  • Alphabetic Formula: [CN]6Cs3[H2O]2IMo3Te7
  • Published Formula: Cs3{[Mo33-Te)(μ2-Te2)3(CN)6]I}·2H2O
  • Refined Formula: C6Cs3H4IMo3N6O2Te7
  • Wyckoff Sequence: 14,e56
  • Z Formula Units: 8
  • Density: ρ = 4.28 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020844

  • 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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