Inorganic Solid Phases

K5H2[V15O36(CO3)]·14.5H2O (H2K5V15[CO3]O36[H2O]14.5) Crystal Structure

General Information

  • Phase Label(s): H2K5V15[CO3]O36[H2O]14.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP160
  • Space Group: 2
  • Phase Prototype: H2K5V15[CO3]O36[H2O]14.5
  • Measurement Detail(s): automatic diffractometer; 20 (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): carbonate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 421 variables; 4182 reflections; I > 5σ(I), R = 0.081; wR = 0.081
  • Sample Detail(s): sample prepared from [NH3Bu]4[V4O12], K2CO3, CH3OH, chemical analysis; 0.7 wt.% C, 10.8 wt.% K, 36.35 wt.% V, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2K5V15[CO3]O36[H2O]14.5
  • Alphabetic Formula: [CO3]H2[H2O]14.5K5O36V15
  • Published Formula: K5H2[V15O36(CO3)]·14.5H2O
  • Refined Formula: CH31K5O53.50V15
  • Wyckoff Sequence: 2,i80
  • Z Formula Units: 2
  • Density: ρ = 2.55 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_1004406

  • 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

    Citation copied