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The Crystal Structure of Sb0.92V0.92O4, Determined by Neutron and Dual Wavelength X-ray Powder Diffraction

Hansen, Staffan LU ; Ståhl, K. ; Nilsson, Roland and Andersson, Arne LU (1993) In Journal of Solid State Chemistry 102(2). p.340-348
Abstract
A phase of approximate composition SbVO4 has been reported in the literature as a key component in new catalysts for the ammoxidation of propane to acrylonitrile. Sb0.92V0.92O4 was prepared by heating equimolar amounts of Sb2O3 and V2O5 in air at 1073 K for 2 hr. The chemical composition was determined by thermogravimetry and energy dispersive X-ray microanalysis. The crystal structure at 293 K was determined, from three powder diffraction data sets recorded with CuKα1, MoKα, and 1.040(1)-Å neutron radiation, using the Rietveld method. Crystal data: Sb0.92V0.92O4, Z = 1, a = 4.625(4), c = 3.040(2) Å, tetragonal space group P 42/mnm, Mr = 222.87, Dcalc = 5.69 g/cm3. All three data sets yield a cation deficient rutile structure and final... (More)
A phase of approximate composition SbVO4 has been reported in the literature as a key component in new catalysts for the ammoxidation of propane to acrylonitrile. Sb0.92V0.92O4 was prepared by heating equimolar amounts of Sb2O3 and V2O5 in air at 1073 K for 2 hr. The chemical composition was determined by thermogravimetry and energy dispersive X-ray microanalysis. The crystal structure at 293 K was determined, from three powder diffraction data sets recorded with CuKα1, MoKα, and 1.040(1)-Å neutron radiation, using the Rietveld method. Crystal data: Sb0.92V0.92O4, Z = 1, a = 4.625(4), c = 3.040(2) Å, tetragonal space group P 42/mnm, Mr = 222.87, Dcalc = 5.69 g/cm3. All three data sets yield a cation deficient rutile structure and final profile R-values of 3.5, 6.3, and 3.5%. Bond valence sums, calculated from the experimentally determined bond lengths, indicate the oxidation states to be Sb5+ and V3+/V4+, leading to the formula Sb5+0.92V3+0.28V4+0.64□0.16O4 (the square denotes metal ion vacancies). Bond valence calculations also suggest that OSb2□ is the most favorable configuration for an oxygen associated with a metal vacancy. (Less)
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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Solid State Chemistry
volume
102
issue
2
pages
340 - 348
publisher
Elsevier
external identifiers
  • wos:A1993KQ30500007
  • scopus:0001300595
ISSN
0022-4596
DOI
10.1006/jssc.1993.1043
language
English
LU publication?
yes
id
e62091de-eabe-4ed5-a4c0-3551c9f8889a (old id 35829)
date added to LUP
2016-04-01 16:40:09
date last changed
2021-01-03 11:21:43
@article{e62091de-eabe-4ed5-a4c0-3551c9f8889a,
  abstract     = {{A phase of approximate composition SbVO4 has been reported in the literature as a key component in new catalysts for the ammoxidation of propane to acrylonitrile. Sb0.92V0.92O4 was prepared by heating equimolar amounts of Sb2O3 and V2O5 in air at 1073 K for 2 hr. The chemical composition was determined by thermogravimetry and energy dispersive X-ray microanalysis. The crystal structure at 293 K was determined, from three powder diffraction data sets recorded with CuKα1, MoKα, and 1.040(1)-Å neutron radiation, using the Rietveld method. Crystal data: Sb0.92V0.92O4, Z = 1, a = 4.625(4), c = 3.040(2) Å, tetragonal space group P 42/mnm, Mr = 222.87, Dcalc = 5.69 g/cm3. All three data sets yield a cation deficient rutile structure and final profile R-values of 3.5, 6.3, and 3.5%. Bond valence sums, calculated from the experimentally determined bond lengths, indicate the oxidation states to be Sb5+ and V3+/V4+, leading to the formula Sb5+0.92V3+0.28V4+0.64□0.16O4 (the square denotes metal ion vacancies). Bond valence calculations also suggest that OSb2□ is the most favorable configuration for an oxygen associated with a metal vacancy.}},
  author       = {{Hansen, Staffan and Ståhl, K. and Nilsson, Roland and Andersson, Arne}},
  issn         = {{0022-4596}},
  language     = {{eng}},
  number       = {{2}},
  pages        = {{340--348}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Solid State Chemistry}},
  title        = {{The Crystal Structure of Sb0.92V0.92O4, Determined by Neutron and Dual Wavelength X-ray Powder Diffraction}},
  url          = {{http://dx.doi.org/10.1006/jssc.1993.1043}},
  doi          = {{10.1006/jssc.1993.1043}},
  volume       = {{102}},
  year         = {{1993}},
}