Materials Data on LaS2 by Materials Project
Abstract
LaS2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.91–3.26 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.90–3.25 Å. There are four inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four La3+ and one S+1.50- atom. The S–S bond length is 2.11 Å. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four La3+ and one S+1.50- atom. In the third S+1.50- site, S+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the fourth S+1.50- site, S+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190691
- 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; LaS2; La-S
- OSTI Identifier:
- 1679642
- DOI:
- https://doi.org/10.17188/1679642
Citation Formats
The Materials Project. Materials Data on LaS2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1679642.
The Materials Project. Materials Data on LaS2 by Materials Project. United States. doi:https://doi.org/10.17188/1679642
The Materials Project. 2019.
"Materials Data on LaS2 by Materials Project". United States. doi:https://doi.org/10.17188/1679642. https://www.osti.gov/servlets/purl/1679642. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1679642,
title = {Materials Data on LaS2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaS2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.91–3.26 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.90–3.25 Å. There are four inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four La3+ and one S+1.50- atom. The S–S bond length is 2.11 Å. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four La3+ and one S+1.50- atom. In the third S+1.50- site, S+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the fourth S+1.50- site, S+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids.},
doi = {10.17188/1679642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}