Materials Data on RbP11 by Materials Project

Abstract

RbP11 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one RbP11 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to six P+0.09- atoms. There are a spread of Rb–P bond distances ranging from 3.52–3.93 Å. There are fifteen inequivalent P+0.09- sites. In the first P+0.09- site, P+0.09- is bonded in a distorted trigonal non-coplanar geometry to three P+0.09- atoms. There are two shorter (2.21 Å) and one longer (2.32 Å) P–P bond lengths. In the second P+0.09- site, P+0.09- is bonded to one Rb1+ and three P+0.09- atoms to form PRbP3 trigonal pyramids that share corners with four PRb2P2 tetrahedra and a cornercorner with one PRbP3 trigonal pyramid. There are one shorter (2.20 Å) and one longer (2.24 Å) P–P bond lengths. In the third P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. There are a spread of P–P bond distances ranging from 2.20–2.24 Å. In the fourth P+0.09- site, P+0.09- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three P+0.09- atoms. There are two shorter (2.23 Å) and one longer (2.27 Å) P–P bond lengths. In the fifth P+0.09- site, P+0.09- is bonded to two equivalent Rb1+ and two P+0.09- atoms to form distorted corner-sharing PRb2P2 tetrahedra. Both P–P bond lengths are 2.16 Å. In the sixth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. There are one shorter (2.25 Å) and one longer (2.26 Å) P–P bond lengths. In the seventh P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. The P–P bond length is 2.25 Å. In the eighth P+0.09- site, P+0.09- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three P+0.09- atoms. There are one shorter (2.16 Å) and two longer (2.24 Å) P–P bond lengths. In the ninth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. The P–P bond length is 2.16 Å. In the tenth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. In the eleventh P+0.09- site, P+0.09- is bonded to one Rb1+ and three P+0.09- atoms to form distorted PRbP3 tetrahedra that share corners with two PRb2P2 tetrahedra and corners with two equivalent PRbP3 trigonal pyramids. The P–P bond length is 2.30 Å. In the twelfth P+0.09- site, P+0.09- is bonded to two equivalent Rb1+ and two P+0.09- atoms to form PRb2P2 tetrahedra that share corners with four PRb2P2 tetrahedra and corners with two equivalent PRbP3 trigonal pyramids. In the thirteenth P+0.09- site, P+0.09- is bonded in a trigonal non-coplanar geometry to three P+0.09- atoms. In the fourteenth P+0.09- site, P+0.09- is bonded in a 4-coordinate geometry to three P+0.09- atoms. In the fifteenth P+0.09- site, P+0.09- is bonded in a distorted trigonal non-coplanar geometry to three P+0.09- atoms.