Inorganic Solid Phases

[NH4]7K3[Mo6+11V5+5V4+2O529-SeO3)(Mo6VO22)]·40H2O (K3[NH4]7V8Mo17[SeO3]O74[H2O]40, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K3[NH4]7V8Mo17[SeO3]O74[H2O]40
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP580
  • Space Group: 62
  • Phase Prototype: K3[NH4]7V8Mo17[SeO3]O74[H2O]40
  • Measurement Detail(s): automatic diffractometer; 10337 (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; 624 variables; 5319 reflections; I > 2σ(I), R = 0.0698; wR = 0.2041
  • Sample Detail(s): sample prepared from NH4VO3, [NH4]6Mo7O24[H2O]4, K2SeO3, NH2NH2[HCl]2, chemical analysis; 37.52 wt.% Mo, 9.53 wt.% V, 2.01 wt.% Se, 2.95 wt.% K, 2.39 wt.% N, single crystal (determination of cell parameters), single crystal, 0.10×0.11×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3[NH4]7V8Mo17[SeO3]O74[H2O]40
  • Alphabetic Formula: [H2O]40K3Mo17[NH4]7O74[SeO3]V8
  • Published Formula: [NH4]7K3[Mo6+11V5+5V4+2O529-SeO3)(Mo6VO22)]·40H2O
  • Refined Formula: H50.80K3Mo17N2O98.40SeV8
  • Wyckoff Sequence: 62,d61c23
  • Z Formula Units: 4
  • Density: ρ = 3.37 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_1022331

  • 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