Materials Data on La10Si8O3 by Materials Project
Abstract
La10Si8O3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted bent 150 degrees geometry to six Si3- and two equivalent O2- atoms. There are four shorter (3.25 Å) and two longer (3.31 Å) La–Si bond lengths. Both La–O bond lengths are 2.85 Å. In the second La3+ site, La3+ is bonded in a distorted linear geometry to four Si3- and two equivalent O2- atoms. There are two shorter (3.09 Å) and two longer (3.17 Å) La–Si bond lengths. Both La–O bond lengths are 2.34 Å. In the third La3+ site, La3+ is bonded to twelve equivalent Si3- atoms to form face-sharing LaSi12 cuboctahedra. All La–Si bond lengths are 3.35 Å. There are two inequivalent Si3- sites. In the first Si3- site, Si3- is bonded in a 9-coordinate geometry to seven La3+ and two equivalent Si3- atoms. Both Si–Si bond lengths are 2.40 Å. In the second Si3- site, Si3- is bonded in a 9-coordinate geometry to nine La3+ atoms. O2- is bonded to six La3+ atoms to form corner-sharing OLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555465
- 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; La10Si8O3; La-O-Si
- OSTI Identifier:
- 1268817
- DOI:
- https://doi.org/10.17188/1268817
Citation Formats
The Materials Project. Materials Data on La10Si8O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268817.
The Materials Project. Materials Data on La10Si8O3 by Materials Project. United States. doi:https://doi.org/10.17188/1268817
The Materials Project. 2020.
"Materials Data on La10Si8O3 by Materials Project". United States. doi:https://doi.org/10.17188/1268817. https://www.osti.gov/servlets/purl/1268817. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268817,
title = {Materials Data on La10Si8O3 by Materials Project},
author = {The Materials Project},
abstractNote = {La10Si8O3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted bent 150 degrees geometry to six Si3- and two equivalent O2- atoms. There are four shorter (3.25 Å) and two longer (3.31 Å) La–Si bond lengths. Both La–O bond lengths are 2.85 Å. In the second La3+ site, La3+ is bonded in a distorted linear geometry to four Si3- and two equivalent O2- atoms. There are two shorter (3.09 Å) and two longer (3.17 Å) La–Si bond lengths. Both La–O bond lengths are 2.34 Å. In the third La3+ site, La3+ is bonded to twelve equivalent Si3- atoms to form face-sharing LaSi12 cuboctahedra. All La–Si bond lengths are 3.35 Å. There are two inequivalent Si3- sites. In the first Si3- site, Si3- is bonded in a 9-coordinate geometry to seven La3+ and two equivalent Si3- atoms. Both Si–Si bond lengths are 2.40 Å. In the second Si3- site, Si3- is bonded in a 9-coordinate geometry to nine La3+ atoms. O2- is bonded to six La3+ atoms to form corner-sharing OLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°.},
doi = {10.17188/1268817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}