Structure of short-range order in phosphorus oxide doped silicate glasses.

The structure of short- and medium-range order of silicate glass containing additions of phosphorus oxide is simulated on a computer. The phosphorus atoms can be in oxygen tetrahedra with different symmetry as well as in pentahedra and trigonal bipyramids. Calculations of the P – O bond lengths and the azimuthal angles in the phosphate glass-forming polyhedral are performed and a conclusion is drawn concerning the most likely structural position of phosphorus. The shortcomings of purely ionic models are noted. [ABSTRACT FROM AUTHOR]