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Title: Materials Data on U2AsP by Materials Project

Abstract

U2AsP is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to four equivalent As3- and two equivalent P3- atoms to form a mixture of edge and corner-sharing UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.84 Å. Both U–P bond lengths are 2.84 Å. In the second U3+ site, U3+ is bonded to two equivalent As3- and four equivalent P3- atoms to form UAs2P4 octahedra that share corners with six equivalent UAs2P4 octahedra and edges with twelve UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–As bond lengths are 2.84 Å. All U–P bond lengths are 2.84 Å. As3- is bonded to six U3+ atoms to form AsU6 octahedra that share corners with six equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight equivalent PU6 octahedra. The corner-sharing octahedral tilt angles are 0°. P3- is bonded to six U3+ atoms to form PU6 octahedra that share corners with six equivalent PU6 octahedra, edges with four equivalent PU6 octahedra, and edges with eight equivalent AsU6 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:
Publication Date:
Other Number(s):
mp-1216555
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; U2AsP; As-P-U
OSTI Identifier:
1689372
DOI:
https://doi.org/10.17188/1689372

Citation Formats

The Materials Project. Materials Data on U2AsP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689372.
The Materials Project. Materials Data on U2AsP by Materials Project. United States. doi:https://doi.org/10.17188/1689372
The Materials Project. 2020. "Materials Data on U2AsP by Materials Project". United States. doi:https://doi.org/10.17188/1689372. https://www.osti.gov/servlets/purl/1689372. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689372,
title = {Materials Data on U2AsP by Materials Project},
author = {The Materials Project},
abstractNote = {U2AsP is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to four equivalent As3- and two equivalent P3- atoms to form a mixture of edge and corner-sharing UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–As bond lengths are 2.84 Å. Both U–P bond lengths are 2.84 Å. In the second U3+ site, U3+ is bonded to two equivalent As3- and four equivalent P3- atoms to form UAs2P4 octahedra that share corners with six equivalent UAs2P4 octahedra and edges with twelve UAs4P2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both U–As bond lengths are 2.84 Å. All U–P bond lengths are 2.84 Å. As3- is bonded to six U3+ atoms to form AsU6 octahedra that share corners with six equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight equivalent PU6 octahedra. The corner-sharing octahedral tilt angles are 0°. P3- is bonded to six U3+ atoms to form PU6 octahedra that share corners with six equivalent PU6 octahedra, edges with four equivalent PU6 octahedra, and edges with eight equivalent AsU6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1689372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}