U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AcSe3 by Materials Project
Abstract
AcSe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac3+ is bonded to twelve Se1- atoms to form AcSe12 cuboctahedra that share corners with four equivalent AcSe12 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with sixteen equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with eight equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.48 Å) Ac–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded to four equivalent Ac3+ and eight Se1- atoms to form distorted SeAc4Se8 cuboctahedra that share corners with twelve equivalent SeAc4Se8 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with eight equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with ten equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and four longer (3.48 Å) Se–Se bond lengths. In the second Se1- site, Se1- is bonded in a square co-planar geometry to four equivalent Ac3+ and eight equivalent Se1- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1183234
- 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; AcSe3; Ac-Se
- OSTI Identifier:
- 1687046
- DOI:
- https://doi.org/10.17188/1687046
Citation Formats
The Materials Project. Materials Data on AcSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687046.
The Materials Project. Materials Data on AcSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1687046
The Materials Project. 2020.
"Materials Data on AcSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1687046. https://www.osti.gov/servlets/purl/1687046. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687046,
title = {Materials Data on AcSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {AcSe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac3+ is bonded to twelve Se1- atoms to form AcSe12 cuboctahedra that share corners with four equivalent AcSe12 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with sixteen equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with eight equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.48 Å) Ac–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded to four equivalent Ac3+ and eight Se1- atoms to form distorted SeAc4Se8 cuboctahedra that share corners with twelve equivalent SeAc4Se8 cuboctahedra, edges with eight equivalent AcSe12 cuboctahedra, edges with eight equivalent SeAc4Se8 cuboctahedra, faces with four equivalent AcSe12 cuboctahedra, and faces with ten equivalent SeAc4Se8 cuboctahedra. There are four shorter (3.08 Å) and four longer (3.48 Å) Se–Se bond lengths. In the second Se1- site, Se1- is bonded in a square co-planar geometry to four equivalent Ac3+ and eight equivalent Se1- atoms.},
doi = {10.17188/1687046},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}