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Title: Materials Data on UPS by Materials Project

Abstract

UPS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to four equivalent P3- and five equivalent S2- atoms. All U–P bond lengths are 2.90 Å. There are four shorter (2.75 Å) and one longer (2.86 Å) U–S bond lengths. P3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent P3- atoms. All P–P bond lengths are 2.66 Å. S2- is bonded to five equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing SU5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-4450
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; P-S-U; UPS; crystal structure
OSTI Identifier:
1208162
DOI:
https://doi.org/10.17188/1208162

Citation Formats

Materials Data on UPS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208162.
Materials Data on UPS by Materials Project. United States. doi:https://doi.org/10.17188/1208162
2020. "Materials Data on UPS by Materials Project". United States. doi:https://doi.org/10.17188/1208162. https://www.osti.gov/servlets/purl/1208162. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208162,
title = {Materials Data on UPS by Materials Project},
abstractNote = {UPS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to four equivalent P3- and five equivalent S2- atoms. All U–P bond lengths are 2.90 Å. There are four shorter (2.75 Å) and one longer (2.86 Å) U–S bond lengths. P3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent P3- atoms. All P–P bond lengths are 2.66 Å. S2- is bonded to five equivalent U5+ atoms to form a mixture of distorted edge and corner-sharing SU5 trigonal bipyramids.},
doi = {10.17188/1208162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}