Materials Data on U6Cu3Ni3Sb8 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1676596· OSTI ID:1676596

U6Ni3Cu3Sb8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.24–3.35 Å. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.22–3.35 Å. In the third U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.23–3.35 Å. In the fourth U3+ site, U3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.24–3.34 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four Sb3- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four Sb3- atoms. There are two shorter (2.65 Å) and two longer (2.66 Å) Ni–Sb bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Sb3- atoms. All Cu–Sb bond lengths are 2.66 Å. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four Sb3- atoms. There are one shorter (2.66 Å) and three longer (2.67 Å) Cu–Sb bond lengths. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six U3+, one Ni1+, and two Cu1+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six U3+, two Ni1+, and one Cu1+ atom. In the third Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six U3+, one Ni1+, and two Cu1+ atoms. In the fourth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six U3+, two Ni1+, and one Cu1+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1676596
• Report Number(s): mp-1217232
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Ni-Sb-U
U6Cu3Ni3Sb8
crystal structure