Inorganic Solid Phases

Cs4.5[Mo3(μ3-Te)(μ2-Te2)3(CN)6]I2.5·3H2O (Cs9Mo6Te14I5[CN]12[H2O]6) Crystal Structure

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General Information

  • Phase Label(s): Cs9Mo6Te14I5[CN]12[H2O]6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP148
  • Space Group: 165
  • Phase Prototype: Cs9Mo6Te14I5[CN]12[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5R (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of structural parameters), T = 296 K (determination of cell and 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 on F2; 99 variables; F > 3σ(F), R = 0.048; wR = 0.035
  • Sample Detail(s): sample prepared from Mo, Te, I2, KCN, CsI, H2O, chemical analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs9Mo6Te14I5[CN]12[H2O]6
  • Alphabetic Formula: [CN]12Cs9[H2O]6I5Mo6Te14
  • Published Formula: Cs4.5[Mo3(μ3-Te)(μ2-Te2)3(CN)6]I2.5·3H2O
  • Refined Formula: C12Cs9H12I5Mo6N12O6Te14
  • Wyckoff Sequence: 165,g11fd2b
  • Z Formula Units: 2
  • Density: ρ = 4.02 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_1811311

  • 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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