Inorganic Solid Phases

K7[Mo6+11V5+5V4+2O529-SeO3)]·31H2O (K7V7Mo11[SeO3]O52[H2O]31, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K7V7Mo11[SeO3]O52[H2O]31
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP832
  • Space Group: 117
  • Phase Prototype: K7V7Mo11[SeO3]O52[H2O]31
  • Measurement Detail(s): automatic diffractometer; 17681 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Cu Kα; λ = 0.154184 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; 853 variables; 9765 reflections; I > 2σ(I), R = 0.0685; wR = 0.1882
  • Sample Detail(s): sample prepared from NH4VO3, [NH4]6Mo7O24[H2O]4, K2SeO3, NH2NH2[HCl]2, chemical analysis; 34.41 wt.% Mo, 11.80 wt.% V, 2.88 wt.% Se, 3.69 wt.% K, 1.97 wt.% N, single crystal (determination of cell parameters), single crystal, 0.03×0.16×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K7V7Mo11[SeO3]O52[H2O]31
  • Alphabetic Formula: [H2O]31K7Mo11O52[SeO3]V7
  • Published Formula: K7[Mo6+11V5+5V4+2O529-SeO3)]·31H2O
  • Refined Formula: H26.60K5.50Mo11O68.30SeV7
  • Wyckoff Sequence: 117,i102g2fe
  • Z Formula Units: 8
  • Density: ρ = 3.23 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_1022330

  • 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