Materials Data on U6P13Rh20 by Materials Project

U6Rh20P13 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to ten Rh and six P atoms. There are a spread of U–Rh bond distances ranging from 3.03–3.35 Å. There are a spread of U–P bond distances ranging from 2.98–3.08 Å. In the second U site, U is bonded in a 12-coordinate geometry to ten Rh and six P atoms. There are a spread of U–Rh bond distances ranging from 3.05–3.38 Å. There are a spread of U–P bond distances ranging from 2.94–3.07 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are two shorter (2.76 Å) and one longer (2.83 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.24–2.52 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. There are two shorter (2.76 Å) and one longer (2.86 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.34–2.56 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are two shorter (2.76 Å) and two longer (2.78 Å) Rh–Rh bond lengths. There are three shorter (2.40 Å) and one longer (2.46 Å) Rh–P bond lengths. In the fourth Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent U and three equivalent P atoms. All Rh–P bond lengths are 2.33 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are a spread of Rh–P bond distances ranging from 2.41–2.46 Å. In the sixth Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. Both Rh–Rh bond lengths are 2.82 Å. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. In the seventh Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent U and three equivalent P atoms. All Rh–P bond lengths are 2.34 Å. In the eighth Rh site, Rh is bonded in a 3-coordinate geometry to one U, three Rh, and three P atoms. There are one shorter (2.35 Å) and two longer (2.53 Å) Rh–P bond lengths. There are five inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent U and five Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four equivalent U and five Rh atoms. In the fifth P site, P is bonded in a distorted trigonal planar geometry to three equivalent Rh atoms.