Materials Research Bulletin, Vol.33, No.5, 683-691, 1998
The ab initio structure determination of BaBeSiO4 from powder X-ray diffraction data : A new ordered stuffed cristobalite
The structure of BaBeSiO4 has been determined from powder X-ray diffraction data and consists of an ordered framework of BeO4, and SiO4, tetrahedra configured in a cristobalite-type geometry. Barium occupies strongly distorted 12-coordinate sites within the framework. Be-9 and Si-29 MASNMR spectra are consistent with the ordered distribution of beryllium and silicon determined for the framework.