Electron density in the sodium vanadium oxide bronze beta-NaxV2O5 at 9 K

Citation
Rp. Ozerov et al., Electron density in the sodium vanadium oxide bronze beta-NaxV2O5 at 9 K, ACT CRYST B, 57, 2001, pp. 244-250
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
ISSN journal
01087681 → ACNP
Volume
57
Year of publication
2001
Part
3
Pages
244 - 250
Database
ISI
SICI code
0108-7681(200106)57:<244:EDITSV>2.0.ZU;2-H
Abstract
The crystal structure and electron density in sodium vanadium oxide bronze, beta -NaxV2O5 [x = 0.282 (3)], have been studied by accurate Mo K alpha X- ray diffraction measurements at 9.6 (3) K. No noticeable difference in the crystal structures at room temperature and 9.6 K has been observed. No supe rstructure reflections, previously found by Kanai, Kagoshima & Nagasawa [(1 982), J. Phys. Soc. Jpn, 51, 697-698], have been detected at low temperatur e. Analysis of the deformation electron density has revealed the presence o f the quasi-two-dimensional sheets of the -V-O-V-O- bonds in the structure. The electron density in the different chemical bonds within each of the th ree crystallographically independent VO6 polyhedra noticeably varies, altho ugh there is no clear evidence that the three crystallographically independ ent V atoms have different valence states.