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Title: Materials Data on U6Cu3Ni3Sb8 by Materials Project

Abstract

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 inequivalentmore » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1217232
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U6Cu3Ni3Sb8; Cu-Ni-Sb-U
OSTI Identifier:
1676596
DOI:
https://doi.org/10.17188/1676596

Citation Formats

The Materials Project. Materials Data on U6Cu3Ni3Sb8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676596.
The Materials Project. Materials Data on U6Cu3Ni3Sb8 by Materials Project. United States. doi:https://doi.org/10.17188/1676596
The Materials Project. 2020. "Materials Data on U6Cu3Ni3Sb8 by Materials Project". United States. doi:https://doi.org/10.17188/1676596. https://www.osti.gov/servlets/purl/1676596. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676596,
title = {Materials Data on U6Cu3Ni3Sb8 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1676596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}