Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1564290 | Computational Materials Science | 2006 | 5 Pages |
Abstract
Structure maps are constructed for AB2X4 (A = metal, B = three-valency element and X = O, S, Se, Te) system (>490 compounds). A way to improve the resolution of the maps is proposed. Crystal structure characteristic (symmetry) is represented on a quantitative scale (coordinate axe Z). The 3D structure diagram with approximating integral plane is constructed and a field of high symmetry compounds is specified with ion radii ratio R(A)/R(X) ≈ 0.60–0.85 and R(B)/R(X) ≈ 0.55–0.70.
Keywords
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
A.S. Korotkov, N.M. Alexandrov,