U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La10Se19 by Materials Project
Abstract
La10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.07–3.20 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.05–3.24 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.08–3.32 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. There are one shorter (2.57 Å) and one longer (2.90 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to formmore »
- Publication Date:
- Other Number(s):
- mp-8866
- 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-Se; La10Se19; crystal structure
- OSTI Identifier:
- 1312776
- DOI:
- https://doi.org/10.17188/1312776
Citation Formats
Materials Data on La10Se19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312776.
Materials Data on La10Se19 by Materials Project. United States. doi:https://doi.org/10.17188/1312776
2020.
"Materials Data on La10Se19 by Materials Project". United States. doi:https://doi.org/10.17188/1312776. https://www.osti.gov/servlets/purl/1312776. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1312776,
title = {Materials Data on La10Se19 by Materials Project},
abstractNote = {La10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.07–3.20 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.05–3.24 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.08–3.32 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. There are one shorter (2.57 Å) and one longer (2.90 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the fifth Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the sixth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.},
doi = {10.17188/1312776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}