DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmUN2 by Materials Project

Abstract

USmN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U3+ is bonded to six N3- atoms to form UN6 octahedra that share corners with six equivalent UN6 octahedra, edges with four equivalent UN6 octahedra, and edges with eight equivalent SmN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.46 Å) and four longer (2.48 Å) U–N bond lengths. Sm3+ is bonded to six N3- atoms to form SmN6 octahedra that share corners with six equivalent SmN6 octahedra, edges with four equivalent SmN6 octahedra, and edges with eight equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.46 Å) and four longer (2.48 Å) Sm–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent Sm3+ atoms to form a mixture of edge and corner-sharing NSm2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to two equivalent U3+ and four equivalent Sm3+ atoms to form NSm4U2 octahedra that share corners with six equivalent NSm4U2 octahedra and edges with twelve NSm2U4 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218965
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; SmUN2; N-Sm-U
OSTI Identifier:
1751872
DOI:
https://doi.org/10.17188/1751872

Citation Formats

The Materials Project. Materials Data on SmUN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751872.
The Materials Project. Materials Data on SmUN2 by Materials Project. United States. doi:https://doi.org/10.17188/1751872
The Materials Project. 2020. "Materials Data on SmUN2 by Materials Project". United States. doi:https://doi.org/10.17188/1751872. https://www.osti.gov/servlets/purl/1751872. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751872,
title = {Materials Data on SmUN2 by Materials Project},
author = {The Materials Project},
abstractNote = {USmN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U3+ is bonded to six N3- atoms to form UN6 octahedra that share corners with six equivalent UN6 octahedra, edges with four equivalent UN6 octahedra, and edges with eight equivalent SmN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.46 Å) and four longer (2.48 Å) U–N bond lengths. Sm3+ is bonded to six N3- atoms to form SmN6 octahedra that share corners with six equivalent SmN6 octahedra, edges with four equivalent SmN6 octahedra, and edges with eight equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.46 Å) and four longer (2.48 Å) Sm–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U3+ and two equivalent Sm3+ atoms to form a mixture of edge and corner-sharing NSm2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to two equivalent U3+ and four equivalent Sm3+ atoms to form NSm4U2 octahedra that share corners with six equivalent NSm4U2 octahedra and edges with twelve NSm2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1751872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}