Inorganic Solid Phases

K10[Mo6+12V5+10O58(SeO3)8]·18H2O (K5V5Mo6[SeO3]4O29[H2O]9, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K5V5Mo6[SeO3]4O29[H2O]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS342
  • Space Group: 12
  • Phase Prototype: K5V5Mo6[SeO3]4O29[H2O]9
  • Measurement Detail(s): automatic diffractometer; 3064 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini A Ultra (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 357 variables; 2097 reflections; I > 2σ(I), R = 0.0756; wR = 0.1969
  • Sample Detail(s): sample prepared from KMoO4, KVO3, K2SeO3, NH2NH2[HCl]2, chemical analysis; 26.75 wt.% Mo, 11.44 wt.% V, 14.33 wt.% Se, 9.14 wt.% K, single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K5V5Mo6[SeO3]4O29[H2O]9
  • Alphabetic Formula: [H2O]9K5Mo6O29[SeO3]4V5
  • Published Formula: K10[Mo6+12V5+10O58(SeO3)8]·18H2O
  • Refined Formula: H17.40K5Mo6O49.70Se4V5
  • Wyckoff Sequence: 12,j33i17hgd
  • Z Formula Units: 4
  • Density: ρ = 2.78 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_1022327

  • 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