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Title: Materials Data on UP2 by Materials Project

Abstract

UP2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.76–2.95 Å. In the second U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.72–2.86 Å. In the third U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.73–2.90 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to five U6+ atoms to form a mixture of edge and corner-sharing PU5 trigonal bipyramids. In the second P3- site, P3- is bonded to five U6+ atoms to form a mixture of distorted edge and corner-sharing PU5 trigonal bipyramids. In the third P3- site, P3- is bonded to five U6+ atoms to form a mixture of edge and corner-sharing PU5 square pyramids. In the fourth P3- site, P3- is bonded in a 6-coordinate geometry to four U6+ and two equivalent P3- atoms. Both P–Pmore » bond lengths are 2.43 Å.« less

Publication Date:
Other Number(s):
mp-569147
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; UP2; P-U
OSTI Identifier:
1274954
DOI:
10.17188/1274954

Citation Formats

The Materials Project. Materials Data on UP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274954.
The Materials Project. Materials Data on UP2 by Materials Project. United States. doi:10.17188/1274954.
The Materials Project. 2020. "Materials Data on UP2 by Materials Project". United States. doi:10.17188/1274954. https://www.osti.gov/servlets/purl/1274954. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274954,
title = {Materials Data on UP2 by Materials Project},
author = {The Materials Project},
abstractNote = {UP2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.76–2.95 Å. In the second U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.72–2.86 Å. In the third U6+ site, U6+ is bonded in a 9-coordinate geometry to nine P3- atoms. There are a spread of U–P bond distances ranging from 2.73–2.90 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to five U6+ atoms to form a mixture of edge and corner-sharing PU5 trigonal bipyramids. In the second P3- site, P3- is bonded to five U6+ atoms to form a mixture of distorted edge and corner-sharing PU5 trigonal bipyramids. In the third P3- site, P3- is bonded to five U6+ atoms to form a mixture of edge and corner-sharing PU5 square pyramids. In the fourth P3- site, P3- is bonded in a 6-coordinate geometry to four U6+ and two equivalent P3- atoms. Both P–P bond lengths are 2.43 Å.},
doi = {10.17188/1274954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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