Materials Data on U6P13Rh20 by Materials Project
U6Rh20P13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six 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 3.03–3.40 Å. There are a spread of U–P bond distances ranging from 2.95–3.07 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 3.03–3.40 Å. There are a spread of U–P bond distances ranging from 2.95–3.08 Å. In the third 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 3.03–3.39 Å. There are a spread of U–P bond distances ranging from 2.95–3.07 Å. In the fourth 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 3.05–3.37 Å. There are a spread of U–P bond distances ranging from 2.95–3.06 Å. In the fifth 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 3.03–3.37 Å. There are a spread of U–P bond distances ranging from 2.95–3.07 Å. In the sixth 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 3.05–3.37 Å. There are a spread of U–P bond distances ranging from 2.95–3.06 Å. There are twenty inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six U and three P atoms. There are two shorter (2.33 Å) and one longer (2.34 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. There are a spread of Rh–Rh bond distances ranging from 2.75–2.85 Å. There are a spread of Rh–P bond distances ranging from 2.34–2.53 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. There are a spread of Rh–Rh bond distances ranging from 2.75–2.85 Å. There are a spread of Rh–P bond distances ranging from 2.35–2.53 Å. In the fourth Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. There are a spread of Rh–Rh bond distances ranging from 2.75–2.85 Å. There are a spread of Rh–P bond distances ranging from 2.34–2.53 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 one shorter (2.77 Å) and one longer (2.78 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.39–2.45 Å. In the sixth Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are one shorter (2.77 Å) and one longer (2.78 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.40–2.44 Å. In the seventh Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are one shorter (2.77 Å) and one longer (2.78 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.40–2.46 Å. In the eighth Rh site, Rh is bonded in a 9-coordinate geometry to six U and three P atoms. All Rh–P bond lengths are 2.33 Å. In the ninth Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.33–2.57 Å. In the tenth Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.32–2.57 Å. In the eleventh Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are one shorter (2.79 Å) and one longer (2.81 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.32–2.57 Å. In the twelfth Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are one shorter (2.76 Å) and one longer (2.77 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.40–2.44 Å. In the thirteenth Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are one shorter (2.75 Å) and one longer (2.76 Å) Rh–Rh bond lengths. There are a spread of Rh–P bond distances ranging from 2.41–2.44 Å. In the fourteenth Rh site, Rh is bonded in a 4-coordinate geometry to four U, four Rh, and four P atoms. There are one shorter (2.75 Å) and one longer (2.76 Å) Rh–Rh bond lengths. There are one shorter (2.39 Å) and three longer (2.43 Å) Rh–P bond lengths. In the fifteenth Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. The Rh–Rh bond length is 2.87 Å. There are a spread of Rh–P bond distances ranging from 2.34–2.55 Å. In the sixteenth Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. The Rh–Rh bond length is 2.87 Å. There are a spread of Rh–P bond distances ranging from 2.34–2.56 Å. In the seventeenth Rh site, Rh is bonded in a 12-coordinate geometry to three U, five Rh, and four P atoms. The Rh–Rh bond length is 2.86 Å. There are a spread of Rh–P bond distances ranging from 2.35–2.56 Å. In the eighteenth Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.56 Å. In the nineteenth Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.55 Å. In the twentieth Rh site, Rh is bonded in a 4-coordinate geometry to one U, three Rh, and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.56 Å. There are thirteen inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the seventh P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the eighth P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the ninth P site, P is bonded in a 9-coordinate geometry to four U and five Rh atoms. In the tenth P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the eleventh P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the twelfth P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Rh atoms. In the thirteenth P site, P is bonded in a distorted octahedral geometry to six Rh atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1739493
- Report Number(s):
- mp-1217510
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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