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Ordering of Metal Atoms in Wurtzite and Sphalerite Structures

✍ Scribed by J. Hauck; K. Mika

Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 401 KB
Volume: 138
Category: Article
ISSN: 0022-4596
DOI: 10.1006/jssc.1998.7793

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✦ Synopsis

The Zn atoms of the wurtzite or sphalerite structure (ZnS) exhibit a hexagonal or cubic close packing with T 1 ‫؍‬ 12 nearest and T 2 ‫؍‬ 6 next-nearest neighbors. Ordered compounds such as CuFeS 2 , SbCu 3 S 4 , and SnFeCu 2 S 4 can be characterized by the self-coordination numbers T 1 , T 2 , and T 3 of the metal atoms and plotted on structural maps with coordinates T 1 , T 2 , T 3 . The three compounds, for example, are at the right border of the map which satisfies Pauling's electrovalence rule. The interaction between metal atoms is repulsive. Other compounds such as GeCu 2 Se 3 , -Ga 2 Se 3 , and -LiSiNO are at different positions of the structure map with attractive interactions between metal atoms and violate Pauling's rule. Some new crystal structures and appropriate metal atoms are selected for the synthesis of new compounds.

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