Inorganic Solid Phases

Cs4[Mo4(OH)4(CO)12]·2.25H2O (CsMo[OH][CO]3[H2O]0.56) Crystal Structure

General Information

  • Phase Label(s): CsMo[OH][CO]3[H2O]0.56
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP160
  • Space Group: 14
  • Phase Prototype: CsMo[OH][CO]3[H2O]0.56
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 358 variables; 11946 reflections; I > 3σ(I), R = 0.028; wR = 0.037
  • Sample Detail(s): sample prepared from CsOH[H2O], K4Mo4[OH]4[CO]12[H2O]2, chemical analysis; 28.87 wt.% Mo, 10.34 wt.% C, 0.74 wt.% H, single crystal, 0.08×0.20×0.36 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CsMo[OH][CO]3[H2O]0.56
  • Alphabetic Formula: [CO]3Cs[H2O]0.56Mo[OH]
  • Published Formula: Cs4[Mo4(OH)4(CO)12]·2.25H2O
  • Refined Formula: C3CsH2.12MoO4.56
  • Wyckoff Sequence: 14,e40
  • Z Formula Units: 16
  • Density: ρ = 3.10 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_1905345

  • 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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