U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2AsSe by Materials Project
Abstract
U2AsSe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the second U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.88 Å) and one longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the third U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-685138
- 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; U2AsSe; As-Se-U
- OSTI Identifier:
- 1284110
- DOI:
- https://doi.org/10.17188/1284110
Citation Formats
The Materials Project. Materials Data on U2AsSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284110.
The Materials Project. Materials Data on U2AsSe by Materials Project. United States. doi:https://doi.org/10.17188/1284110
The Materials Project. 2020.
"Materials Data on U2AsSe by Materials Project". United States. doi:https://doi.org/10.17188/1284110. https://www.osti.gov/servlets/purl/1284110. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1284110,
title = {Materials Data on U2AsSe by Materials Project},
author = {The Materials Project},
abstractNote = {U2AsSe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the second U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.88 Å) and one longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the third U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.91 Å) U–Se bond lengths. In the fourth U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. There are two inequivalent As sites. In the first As site, As is bonded to six U atoms to form AsU6 octahedra that share corners with two equivalent SeU6 octahedra, corners with four equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight SeU6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second As site, As is bonded to six U atoms to form AsU6 octahedra that share corners with two equivalent SeU6 octahedra, corners with four equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight SeU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two inequivalent Se sites. In the first Se site, Se is bonded to six U atoms to form SeU6 octahedra that share corners with two equivalent AsU6 octahedra, corners with four equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight AsU6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second Se site, Se is bonded to six U atoms to form SeU6 octahedra that share corners with two equivalent AsU6 octahedra, corners with four equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight AsU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1284110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}