DIAMOND HIGHLIGHTS TOUR

Coordination spheres (whose sizes derive from bonding spheres) as well as arbitrary spheres of fixed size can easily be checked by Diamond and used, e.g. to create all or selected atoms within those spheres with or without polyhedron faces.

The picture on the right demonstrates how the coordination spheres can be checked and how the P-O-tetrahedra and distorted W-O-octahedra are linked in the Keggin structure (Aquaoxoniumdodecatungstophosphate).

The second picture shows three steps of the creation of that scenery. First the creation of a central P atom. Second the completion of the tetrahedral environment, here symbolized by a transparent polyhedron. Third the generation of the W atoms connected with the four O atoms of the central tetrahedron. The first picture is then completed by generation of W-O-octahedra.

The following list of distances (in Angstroems) from P and W, rsp., to O is taken from DIAMOND's tabular output of distances and/or angles. Together with the histogram in the Connectivity dialog, you can use that output to control the distances and angles within coordination or arbitrary spheres.

        P 1   O 1   1.571
        O 1         1.571	
        O 1         1.571	
        O 1         1.571	
        W 1   O 4   1.757	
        O 2         1.958	
        O 2         1.958	
        O 3         1.964	
        O 3         1.964	
        O 1         2.507