ISSN:
1432-2021
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
,
Physik
Notizen:
Abstract X-ray absorption Na K-edge spectra have been recorded on synthetic endmember jadeite and on a series of natural Ca-Na pyroxenes compositionally straddling the Jd-Di join. The C2/c members of the series are systematically different from the P2/n members. Differences can be interpreted and explained by comparing the experimental spectra with theoretical spectra. These have been calculated by the multiple-scattering formalism from the atomic positional parameters determined by single-crystal X-ray diffraction structure refinement on the same samples. In the full multiple scattering region of the spectra (1075 to 1090 eV) C-pyroxenes exhibit three features which reflect the 6-2 configuration of the O back-scattering atoms around the Na absorber located at the center of the cluster (site M2 of the jadeite structure). P-pyroxenes show more complicated spectra in which at least four (possibly five) features can be recognized; they reflect the two types of configuration (6-2 and 4-2-2) of O around Na in the two independent M2 and M21 eight-fold coordinated sites of the omphacite structure. A weak, sometimes poorly resolved peak at 1079 eV is diagnostic and discriminates C- from P-pyroxenes. The Garnet Ridge C2/c impure jadeite exhibits a spectrum which is intermediate between those of jadeite and omphacite. The Hedin-Lundqvist potential proves best for these insulating materials and allows multiple-scattering calculations agreeing well with experiments.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/s002690050065
