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Abstract
Abstract The 127I NQR and its Zeeman effect on the TeI4 single crystal were investigated. Ten nonequivalent iodine atoms were detected, in agreement with the X-ray analysis by Krebs and Paulat. Six of them were assigned to terminal atoms, two to bridge atoms, and the remaining two to pyramidal iodine atoms, on the basis of their quadrupole coupling constants and asymmetry parameters. One of the bridging iodine atoms takes an efg z-axis parallel to the shorter Te–I bond, but the other bridging iodine atom takes an efg z-axis perpendicular to the bridging plane. This difference can be explained by a simple model based on the Townes-Dailey treatment and is consistent with that difference to be expected from the bridging-bond length. The extremely small coupling constants for the pyramidal iodine atoms could be interpreted by covalency, assuming a hybridization of the s-orbital to the pure p-bond configuration.
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