Inorganic Solid Phases

K9.5[H3.5V18O42Cl]·11.5H2O (H7K19V36Cl2O84[H2O]23) Crystal Structure

General Information

  • Phase Label(s): H7K19V36Cl2O84[H2O]23
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP165
  • Space Group: 2
  • Phase Prototype: H7K19V36Cl2O84[H2O]23
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 475 variables; 6133 reflections; F > 3σ(F), R = 0.088; wR = 0.107
  • Sample Detail(s): sample prepared from [NH3Bu]4[V4O12], KOH, chemical analysis; 1.85 wt.% Cl, 17.30 wt.% K, 40.40 wt.% V, single crystal (determination of cell parameters), single crystal, 0.03×0.3×1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H7K19V36Cl2O84[H2O]23
  • Alphabetic Formula: Cl2H7[H2O]23K19O84V36
  • Published Formula: K9.5[H3.5V18O42Cl]·11.5H2O
  • Refined Formula: Cl2H46K19O107V36
  • Wyckoff Sequence: 2,i82f
  • Z Formula Units: 1
  • Density: ρ = 2.52 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1004558

  • 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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