U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrLa3 by Materials Project
Abstract
SrLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve La atoms to form SrLa12 cuboctahedra that share corners with six equivalent SrLa12 cuboctahedra, corners with twelve LaSr4La8 cuboctahedra, edges with eighteen LaSr4La8 cuboctahedra, faces with eight equivalent SrLa12 cuboctahedra, and faces with twelve LaSr4La8 cuboctahedra. There are six shorter (3.88 Å) and six longer (3.91 Å) Sr–La bond lengths. There are three inequivalent La sites. In the first La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with fourteen LaSr4La8 cuboctahedra, edges with six equivalent SrLa12 cuboctahedra, edges with twelve LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with sixteen LaSr4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.76–4.06 Å. In the second La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with fourteen LaSr4La8 cuboctahedra, edges with six equivalent SrLa12 cuboctahedra, edges with twelve LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with sixteenmore »
- Publication Date:
- Other Number(s):
- mp-1187249
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; La-Sr; SrLa3; crystal structure
- OSTI Identifier:
- 1722602
- DOI:
- https://doi.org/10.17188/1722602
Citation Formats
Materials Data on SrLa3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722602.
Materials Data on SrLa3 by Materials Project. United States. doi:https://doi.org/10.17188/1722602
2020.
"Materials Data on SrLa3 by Materials Project". United States. doi:https://doi.org/10.17188/1722602. https://www.osti.gov/servlets/purl/1722602. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722602,
title = {Materials Data on SrLa3 by Materials Project},
abstractNote = {SrLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve La atoms to form SrLa12 cuboctahedra that share corners with six equivalent SrLa12 cuboctahedra, corners with twelve LaSr4La8 cuboctahedra, edges with eighteen LaSr4La8 cuboctahedra, faces with eight equivalent SrLa12 cuboctahedra, and faces with twelve LaSr4La8 cuboctahedra. There are six shorter (3.88 Å) and six longer (3.91 Å) Sr–La bond lengths. There are three inequivalent La sites. In the first La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with fourteen LaSr4La8 cuboctahedra, edges with six equivalent SrLa12 cuboctahedra, edges with twelve LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with sixteen LaSr4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.76–4.06 Å. In the second La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with fourteen LaSr4La8 cuboctahedra, edges with six equivalent SrLa12 cuboctahedra, edges with twelve LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with sixteen LaSr4La8 cuboctahedra. Both La–La bond lengths are 3.78 Å. In the third La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with fourteen LaSr4La8 cuboctahedra, edges with six equivalent SrLa12 cuboctahedra, edges with twelve LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with sixteen LaSr4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.76–4.06 Å.},
doi = {10.17188/1722602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}