Inorganic Solid Phases

Cs9[H2V18O42(I)]·12H2O (H2Cs9V18IO42[H2O]12) Crystal Structure

General Information

  • Phase Label(s): H2Cs9V18IO42[H2O]12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS360
  • Space Group: 15
  • Phase Prototype: H2Cs9V18IO42[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens R3m/V (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): iodide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 358 variables; 4073 reflections; F > 4σ(F), R = 0.056
  • Sample Detail(s): sample prepared from CsVO3, N2H5OH, inductive coupled plasma method, thermogravimetry; 4.3 wt.% I, 37.7 wt.% Cs, 6.8 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2Cs9V18IO42[H2O]12
  • Alphabetic Formula: Cs9H2[H2O]12IO42V18
  • Published Formula: Cs9[H2V18O42(I)]·12H2O
  • Refined Formula: Cs9IO54V18
  • Wyckoff Sequence: 15,f44ed
  • Z Formula Units: 4
  • Density: ρ = 3.30 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002616

  • 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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