U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2Si(IO2)2 by Materials Project
Abstract
La2Si(O2I)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two La2Si(O2I)2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bond distances ranging from 2.39–2.66 Å. There are a spread of La–I bond distances ranging from 3.33–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.67 Å. There are two shorter (3.33 Å) and one longer (3.38 Å) La–I bond lengths. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to seven O2- and two I1- atoms. There are a spread of La–O bond distances ranging from 2.40–2.96 Å. There are one shorter (3.31 Å) and one longer (3.49 Å) La–I bond lengths. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to seven O2- and two I1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.98 Å. There are one shorter (3.29more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203654
- 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; La2Si(IO2)2; I-La-O-Si
- OSTI Identifier:
- 1753656
- DOI:
- https://doi.org/10.17188/1753656
Citation Formats
The Materials Project. Materials Data on La2Si(IO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753656.
The Materials Project. Materials Data on La2Si(IO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753656
The Materials Project. 2020.
"Materials Data on La2Si(IO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753656. https://www.osti.gov/servlets/purl/1753656. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1753656,
title = {Materials Data on La2Si(IO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Si(O2I)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two La2Si(O2I)2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bond distances ranging from 2.39–2.66 Å. There are a spread of La–I bond distances ranging from 3.33–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to five O2- and three I1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.67 Å. There are two shorter (3.33 Å) and one longer (3.38 Å) La–I bond lengths. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to seven O2- and two I1- atoms. There are a spread of La–O bond distances ranging from 2.40–2.96 Å. There are one shorter (3.31 Å) and one longer (3.49 Å) La–I bond lengths. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to seven O2- and two I1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.98 Å. There are one shorter (3.29 Å) and one longer (3.50 Å) La–I bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two La3+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two La3+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to three La3+ atoms.},
doi = {10.17188/1753656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}