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Title: Materials Data on UIr by Materials Project

Abstract

UIr crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to three U and five Ir atoms. There are a spread of U–U bond distances ranging from 2.59–2.78 Å. There are a spread of U–Ir bond distances ranging from 2.65–3.00 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and seven Ir atoms. The U–U bond length is 2.64 Å. There are a spread of U–Ir bond distances ranging from 2.69–3.10 Å. In the third U site, U is bonded in a 5-coordinate geometry to three U and two Ir atoms. The U–U bond length is 2.47 Å. There are one shorter (2.93 Å) and one longer (2.95 Å) U–Ir bond lengths. In the fourth U site, U is bonded in a 3-coordinate geometry to two U and one Ir atom. The U–Ir bond length is 3.12 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 1-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging frommore » 2.68–2.95 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.65–2.77 Å. In the third Ir site, Ir is bonded in a 11-coordinate geometry to four U and seven Ir atoms. There are one shorter (2.65 Å) and one longer (2.82 Å) Ir–Ir bond lengths. In the fourth Ir site, Ir is bonded in a 1-coordinate geometry to five U and five Ir atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-644899
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; UIr; Ir-U
OSTI Identifier:
1280488
DOI:
https://doi.org/10.17188/1280488

Citation Formats

The Materials Project. Materials Data on UIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280488.
The Materials Project. Materials Data on UIr by Materials Project. United States. doi:https://doi.org/10.17188/1280488
The Materials Project. 2020. "Materials Data on UIr by Materials Project". United States. doi:https://doi.org/10.17188/1280488. https://www.osti.gov/servlets/purl/1280488. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280488,
title = {Materials Data on UIr by Materials Project},
author = {The Materials Project},
abstractNote = {UIr crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 8-coordinate geometry to three U and five Ir atoms. There are a spread of U–U bond distances ranging from 2.59–2.78 Å. There are a spread of U–Ir bond distances ranging from 2.65–3.00 Å. In the second U site, U is bonded in a 1-coordinate geometry to one U and seven Ir atoms. The U–U bond length is 2.64 Å. There are a spread of U–Ir bond distances ranging from 2.69–3.10 Å. In the third U site, U is bonded in a 5-coordinate geometry to three U and two Ir atoms. The U–U bond length is 2.47 Å. There are one shorter (2.93 Å) and one longer (2.95 Å) U–Ir bond lengths. In the fourth U site, U is bonded in a 3-coordinate geometry to two U and one Ir atom. The U–Ir bond length is 3.12 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 1-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.68–2.95 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to three U and seven Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.65–2.77 Å. In the third Ir site, Ir is bonded in a 11-coordinate geometry to four U and seven Ir atoms. There are one shorter (2.65 Å) and one longer (2.82 Å) Ir–Ir bond lengths. In the fourth Ir site, Ir is bonded in a 1-coordinate geometry to five U and five Ir atoms.},
doi = {10.17188/1280488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}