This title appears in the Scientific Report :
2002
Please use the identifier:
http://dx.doi.org/10.1016/S1463-0184(02)00012-6 in citations.
Structure maps for crystal engineering
Structure maps for crystal engineering
The ordering of A and B atoms of compounds A(x)B(y) on the different positions of a lattice is analyzed by the numbers T-1, T-2 T-3; r of nearest, next-nearest and third neighbors of the same kind and the ratio r = y/x. The T-1, T-2 or T-1, T-2, T-3 structure maps containing all possible structures...
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Personal Name(s): | Hauck, J. |
---|---|
Mika, K. | |
Contributing Institute: |
Weiche Materie; IFF-WM Theorie III; IFF-TH-III |
Published in: | Crystal engineering, 5 (2002) S. 105 - 121 |
Imprint: |
Amsterdam
Elsevier
2002
|
Physical Description: |
105 - 121 |
DOI: |
10.1016/S1463-0184(02)00012-6 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Crystal Engineering
5 |
Subject (ZB): | |
Publikationsportal JuSER |
The ordering of A and B atoms of compounds A(x)B(y) on the different positions of a lattice is analyzed by the numbers T-1, T-2 T-3; r of nearest, next-nearest and third neighbors of the same kind and the ratio r = y/x. The T-1, T-2 or T-1, T-2, T-3 structure maps containing all possible structures select the structures with maximum attractive or repulsive interactions which are stabilized by enthalpy. These structures at the borders of the structure maps are assembled from different structural units with different physical properties. The square net, body-centered cubic and diamond lattices containing surface structures, ordered alloys or semiconducting adamantanes are closely related. A periodic variation of crystal structures and interactions is suggested for the low-temperature modifications of the elements. (C) 2002 Elsevier Science Ltd. All rights reserved. |