A Computer Program for Plotting Coordination Polyhedra in Ionic Crystals-DRWMIN.
Environmental research papers,
AIR FORCE CAMBRIDGE RESEARCH LABS HANSCOM AFB MASS
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In recent years emphasis has been placed on interpreting the chemical and physical properties of crystals, and especially minerals, in terms of the arrangement of the atoms in the structure or crystal structure. For example, most minerals, and especially silicate minerals, have complex structures which are difficult to understand without some sort of visual representation of the atomic positions in the unit cell. The crystal structure representations available in the literature are usually projections along standard or conventional directions, and may not be appropriate for special problems such as twinning or cleavage. The combination of digital computer with an on-line or off-line plotting facility offers a logical alternative. A computer program, DRWMIN, has been written. It is designed to draw projections of inorganic crystal structures. The structures, as drawn by the program, consist of coordination polyhedra of anions surrounding the cations. The projections may be along any direction u v w or onto the faces of the unit cell.
- Geology, Geochemistry and Mineralogy
- Computer Programming and Software