The Crystal Structure of Sb0.92V0.92O4, Determined by Neutron and Dual Wavelength X-ray Powder Diffraction
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/35829
- author
- Hansen, Staffan LU ; Ståhl, K. ; Nilsson, Roland and Andersson, Arne LU
- organization
- publishing date
- 1993
- 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
- 2023-09-04 23:03:40
@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}},
}