Title of article :
Structure quantitative map in application for AB2X4 system
Author/Authors :
Korotkov، نويسنده , , A.S. and Alexandrov، نويسنده , , N.M.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Pages :
5
From page :
442
To page :
446
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 :
structure prediction , statistics , Space mapping
Journal title :
Computational Materials Science
Serial Year :
2006
Journal title :
Computational Materials Science
Record number :
1681460
Link To Document :
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