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Title: Materials Data on UMo13P9 by Materials Project

Abstract

UMo13P9 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent Mo and six equivalent P atoms to form distorted face-sharing UMo6P6 cuboctahedra. All U–Mo bond lengths are 3.12 Å. All U–P bond lengths are 2.91 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.46 Å) and one longer (2.72 Å) Mo–P bond lengths. In the second Mo site, Mo is bonded in a 6-coordinate geometry to two equivalent U and four P atoms. There are two shorter (2.41 Å) and two longer (2.53 Å) Mo–P bond lengths. In the third Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mo–P bond distances ranging from 2.42–2.71 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent P atoms. All Mo–P bond lengths are 2.47 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent U and six Mo atoms. In the second P site, P is bondedmore » in a 8-coordinate geometry to eight Mo atoms. In the third P site, P is bonded in a 7-coordinate geometry to seven Mo atoms.« less

Publication Date:
Other Number(s):
mp-30190
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; UMo13P9; Mo-P-U
OSTI Identifier:
1204607
DOI:
https://doi.org/10.17188/1204607

Citation Formats

The Materials Project. Materials Data on UMo13P9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204607.
The Materials Project. Materials Data on UMo13P9 by Materials Project. United States. doi:https://doi.org/10.17188/1204607
The Materials Project. 2020. "Materials Data on UMo13P9 by Materials Project". United States. doi:https://doi.org/10.17188/1204607. https://www.osti.gov/servlets/purl/1204607. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204607,
title = {Materials Data on UMo13P9 by Materials Project},
author = {The Materials Project},
abstractNote = {UMo13P9 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent Mo and six equivalent P atoms to form distorted face-sharing UMo6P6 cuboctahedra. All U–Mo bond lengths are 3.12 Å. All U–P bond lengths are 2.91 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.46 Å) and one longer (2.72 Å) Mo–P bond lengths. In the second Mo site, Mo is bonded in a 6-coordinate geometry to two equivalent U and four P atoms. There are two shorter (2.41 Å) and two longer (2.53 Å) Mo–P bond lengths. In the third Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mo–P bond distances ranging from 2.42–2.71 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent P atoms. All Mo–P bond lengths are 2.47 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent U and six Mo atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Mo atoms. In the third P site, P is bonded in a 7-coordinate geometry to seven Mo atoms.},
doi = {10.17188/1204607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}