Description: Structure maps for crystal engineering

This title appears in the Scientific Report : 2002

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...

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):	J interactions structural units adamantanes polymers quasi-crystals
	Publikationsportal JuSER

Please use the identifier: http://dx.doi.org/10.1016/S1463-0184(02)00012-6 in citations.

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.