Abstract
Single crystals of Pb2In2Si2O9 have been prepared by crystallisation from melts of Pb(NO3)2, ln2O3 and SiO2. The compound crystallizes with orthorhombic symmetry, space group C2v 9 - Pna21 with the lattice constants a = 10.529(1), b = 11.372(1) and c = 7.019(3) Å, Z = 4. Despite the fact that the Kentrolite/Melanotekite structure is characterized by dissimilar occupied split positions of lead, Pb2In2Si2O9 shows completely filled and ordered point positions. The location of a dot like lone pair of Pb2+ is estimated by Coulomb term calculations of lattice energy. The results are discussed with respect to published Pb-lone pair distances using the electronic polarizability coefficient of the lone pair cation or simple geometrical considerations.
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