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Title: Materials Data on U6Ni by Materials Project

Abstract

U6Ni crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent U sites. In the first U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.33 Å. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. In the second U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.73–3.36 Å. In the third U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.76–3.31 Å. In the fourth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.24 Å. Both U–Ni bond lengths are 2.81 Å. In the fifth U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.78–3.35 Å. In the sixth U site, U is bonded in a 4-coordinate geometry to five Umore » and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.23 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) U–Ni bond lengths. In the seventh U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.55 Å) and one longer (3.36 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eighth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 3.33 Å. Both U–Ni bond lengths are 2.80 Å. In the ninth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 2.82 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) U–Ni bond lengths. In the tenth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (3.21 Å) and one longer (3.22 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eleventh U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. In the twelfth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms.« less

Publication Date:
Other Number(s):
mp-636821
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U6Ni; Ni-U
OSTI Identifier:
1279605
DOI:
https://doi.org/10.17188/1279605

Citation Formats

The Materials Project. Materials Data on U6Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279605.
The Materials Project. Materials Data on U6Ni by Materials Project. United States. doi:https://doi.org/10.17188/1279605
The Materials Project. 2020. "Materials Data on U6Ni by Materials Project". United States. doi:https://doi.org/10.17188/1279605. https://www.osti.gov/servlets/purl/1279605. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279605,
title = {Materials Data on U6Ni by Materials Project},
author = {The Materials Project},
abstractNote = {U6Ni crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent U sites. In the first U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.33 Å. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. In the second U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.73–3.36 Å. In the third U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.76–3.31 Å. In the fourth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.24 Å. Both U–Ni bond lengths are 2.81 Å. In the fifth U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.78–3.35 Å. In the sixth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are a spread of U–U bond distances ranging from 2.55–3.23 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) U–Ni bond lengths. In the seventh U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.55 Å) and one longer (3.36 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eighth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 3.33 Å. Both U–Ni bond lengths are 2.80 Å. In the ninth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. The U–U bond length is 2.82 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) U–Ni bond lengths. In the tenth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (3.21 Å) and one longer (3.22 Å) U–U bond lengths. There are one shorter (2.80 Å) and one longer (2.81 Å) U–Ni bond lengths. In the eleventh U site, U is bonded in a 3-coordinate geometry to thirteen U atoms. In the twelfth U site, U is bonded in a 4-coordinate geometry to five U and two Ni atoms. There are one shorter (2.80 Å) and one longer (2.82 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 10-coordinate geometry to eight U and two equivalent Ni atoms.},
doi = {10.17188/1279605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}