Inorganic Solid Phases

Cs2[Mo(NO)Cl4(H2O)] (Cs2MoCl4[NO][H2O]) Crystal Structure

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General Information

  • Phase Label(s): Cs2MoCl4[NO][H2O]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS40
  • Space Group: 63
  • Phase Prototype: Cs2MoCl4[NO][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxonitrate, chloride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 34 variables; 619 reflections; F > 3.92σ(F), R = 0.039
  • Sample Detail(s): sample prepared from K4Mo[NO][CN]5[H2O]2, chemical analysis; Cl, H, Mo and N content analyzed: 0.4 wt.% H, 2.6 wt.% N, 25.6 wt.% Cl, 17.2 wt.% Mo, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs2MoCl4[NO][H2O]
  • Alphabetic Formula: Cl4Cs2[H2O]Mo[NO]
  • Published Formula: Cs2[Mo(NO)Cl4(H2O)]
  • Refined Formula: Cl4Cs2H2MoNO2
  • Wyckoff Sequence: 63,hc6
  • Z Formula Units: 4
  • Density: ρ = 3.43 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

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1708758

  • 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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