Chemical bonding and Mössbauer spectroscopic investigations on ternary polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7

The present manuscript is dealing with chemical bonding and Mössbauer spectroscopic investigations on the coinage-metal polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7. Sb(III) has been identified in the HgPbP14-type compound AgSbP14 by Mössbauer spectroscopic experiments, representing the first P14-polyphosphide with the cation combination M+(Ag)/M′3+(Sb). A combined spectroscopic and theoretical approach using various methods is applied to semi-conducting [Ag3Sn]P7 and [Au3Sn]P7 to characterize the metalloid [M3Sn] clusters coordinated to the P-network. Sn-5s electron densities, electric field gradients and effective charges were calculated by DFT methods and are discussed in relation to the Mössbauer data.

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