Materials Data on TePb by Materials Project

Abstract

PbTe crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are ten inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.07–3.94 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.04–3.89 Å. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.06–3.79 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.02–3.43 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.02–3.41 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.02–3.42 Å. In the seventh Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.03–3.43 Å. In the eighth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.02–3.41 Å. In the ninth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to six Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.03–3.91 Å. In the tenth Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Pb–Te bond distances ranging from 3.03–3.84 Å. There are ten inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to six Pb2+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to six Pb2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pb2+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Pb2+ atoms. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Pb2+ atoms. In the sixth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Pb2+ atoms. In the seventh Te2- site, Te2- is bonded in a 5-coordinate geometry to five Pb2+ atoms. In the eighth Te2- site, Te2- is bonded in a 5-coordinate geometry to six Pb2+ atoms. In the ninth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Pb2+ atoms. In the tenth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pb2+ atoms.