Materials Data on P7Pb by Materials Project
PbP7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 3-coordinate geometry to three P+0.29- atoms. There are a spread of Pb–P bond distances ranging from 2.87–3.03 Å. There are seven inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to one Pb2+ and two P+0.29- atoms. There are one shorter (2.21 Å) and one longer (2.24 Å) P–P bond lengths. In the second P+0.29- site, P+0.29- is bonded in a distorted trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.24–2.26 Å. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.23 Å. In the fourth P+0.29- site, P+0.29- is bonded in a 3-coordinate geometry to three P+0.29- atoms. The P–P bond length is 2.21 Å. In the fifth P+0.29- site, P+0.29- is bonded in a distorted T-shaped geometry to three P+0.29- atoms. There are two shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths. In the sixth P+0.29- site, P+0.29- is bonded to two equivalent Pb2+ and two P+0.29- atoms to form distorted corner-sharing PP2Pb2 trigonal pyramids. In the seventh P+0.29- site, P+0.29- is bonded in a distorted trigonal non-coplanar geometry to three P+0.29- atoms.