Materials Data on RbP15 by Materials Project

Abstract

RbP15 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one RbP15 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 6-coordinate geometry to six P+0.07- atoms. There are a spread of Rb–P bond distances ranging from 3.59–3.68 Å. There are fifteen inequivalent P+0.07- sites. In the first P+0.07- site, P+0.07- is bonded to one Rb1+ and three P+0.07- atoms to form corner-sharing PRbP3 trigonal pyramids. There are two shorter (2.20 Å) and one longer (2.24 Å) P–P bond lengths. In the second P+0.07- site, P+0.07- is bonded in a 3-coordinate geometry to three P+0.07- atoms. There are two shorter (2.20 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.07- site, P+0.07- is bonded in a distorted trigonal non-coplanar geometry to three P+0.07- atoms. The P–P bond length is 2.32 Å. In the fourth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. Both P–P bond lengths are 2.21 Å. In the fifth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) P–P bond lengths. In the sixth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. There are one shorter (2.20 Å) and one longer (2.23 Å) P–P bond lengths. In the seventh P+0.07- site, P+0.07- is bonded to one Rb1+ and three P+0.07- atoms to form distorted corner-sharing PRbP3 tetrahedra. There are one shorter (2.23 Å) and one longer (2.32 Å) P–P bond lengths. In the eighth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. There are a spread of P–P bond distances ranging from 2.20–2.26 Å. In the ninth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. The P–P bond length is 2.23 Å. In the tenth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. The P–P bond length is 2.16 Å. In the eleventh P+0.07- site, P+0.07- is bonded to one Rb1+ and three P+0.07- atoms to form distorted corner-sharing PRbP3 tetrahedra. In the twelfth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. In the thirteenth P+0.07- site, P+0.07- is bonded in a trigonal non-coplanar geometry to three P+0.07- atoms. The P–P bond length is 2.24 Å. In the fourteenth P+0.07- site, P+0.07- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb1+ and two P+0.07- atoms. The P–P bond length is 2.15 Å. In the fifteenth P+0.07- site, P+0.07- is bonded to one Rb1+ and three P+0.07- atoms to form corner-sharing PRbP3 trigonal pyramids.