Materials Data on B11Rh18 by Materials Project

Abstract

Rh18B11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eighteen inequivalent Rh sites. In the first Rh site, Rh is bonded to four B atoms to form distorted edge-sharing RhB4 tetrahedra. There are a spread of Rh–B bond distances ranging from 2.17–2.25 Å. In the second Rh site, Rh is bonded to four B atoms to form distorted edge-sharing RhB4 tetrahedra. There are a spread of Rh–B bond distances ranging from 2.17–2.26 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.16–2.47 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.47 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.04–2.36 Å. In the sixth Rh site, Rh is bonded in a 3-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.39 Å. In the seventh Rh site, Rh is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.22 Å) Rh–B bond lengths. In the eighth Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.26 Å. In the ninth Rh site, Rh is bonded in a distorted water-like geometry to three B atoms. There are a spread of Rh–B bond distances ranging from 2.09–2.89 Å. In the tenth Rh site, Rh is bonded in a distorted T-shaped geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.09–2.87 Å. In the eleventh Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.46 Å. In the twelfth Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.47 Å. In the thirteenth Rh site, Rh is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.44 Å. In the fourteenth Rh site, Rh is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.45 Å. In the fifteenth Rh site, Rh is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.12–2.25 Å. In the sixteenth Rh site, Rh is bonded in a 5-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.27 Å. In the seventeenth Rh site, Rh is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.70 Å. In the eighteenth Rh site, Rh is bonded in a 3-coordinate geometry to five B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.66 Å. There are eleven inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to eight Rh and one B atom. The B–B bond length is 1.90 Å. In the second B site, B is bonded in a 9-coordinate geometry to eight Rh and one B atom. In the third B site, B is bonded in a 6-coordinate geometry to six Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to six Rh atoms. In the fifth B site, B is bonded in a 8-coordinate geometry to seven Rh and one B atom. The B–B bond length is 1.96 Å. In the sixth B site, B is bonded in a 8-coordinate geometry to seven Rh and one B atom. The B–B bond length is 1.94 Å. In the seventh B site, B is bonded in a 7-coordinate geometry to seven Rh atoms. In the eighth B site, B is bonded in a 7-coordinate geometry to seven Rh atoms. In the ninth B site, B is bonded in a 9-coordinate geometry to seven Rh and two B atoms. The B–B bond length is 1.91 Å. In the tenth B site, B is bonded in a 8-coordinate geometry to seven Rh and one B atom. In the eleventh B site, B is bonded in a 7-coordinate geometry to six Rh and one B atom.