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KMID : 0380319920490000075
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Journal of Korean Research Institute for Better Living
1992 Volume.49 No. 0 p.75 ~ p.81
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The Stabilities and Distortions of Linear M-X-M Linkages in Tetrahedrally Coordinated Extented Network : TaN_2-
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Kim Sung-Jin
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Abstract
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An analysis of distortions around a tetrahedrally coordinated metal in KTaN_2 is given. This distortion is an analogue of distortion around a octahedrally coordinated metal in perovskite. Two bond stretchings, C_2v and C_3v-type, are energetically favorable and extends of stabilization decrease by reducing compund, but the symmetric to asymmetric "crossover" doesn´t occur. Bond distortions are seen to be result from increased metal-dπ and nonmetal-pπ interactions. Angle distortions are energetically unfavorable.
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KEYWORD
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