Materials Data on La3Ga4Cl by Materials Project
Abstract
La3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of La–Ga bond distances ranging from 3.23–3.45 Å. Both La–Cl bond lengths are 3.10 Å. In the second La site, La is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All La–Ga bond lengths are 3.23 Å. Both La–Cl bond lengths are 2.86 Å. Ga is bonded in a 9-coordinate geometry to six La and three equivalent Ga atoms. There are two shorter (2.64 Å) and one longer (2.76 Å) Ga–Ga bond lengths. Cl is bonded to six La atoms to form corner-sharing ClLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-631194
- 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; La3Ga4Cl; Cl-Ga-La
- OSTI Identifier:
- 1279033
- DOI:
- https://doi.org/10.17188/1279033
Citation Formats
The Materials Project. Materials Data on La3Ga4Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279033.
The Materials Project. Materials Data on La3Ga4Cl by Materials Project. United States. doi:https://doi.org/10.17188/1279033
The Materials Project. 2020.
"Materials Data on La3Ga4Cl by Materials Project". United States. doi:https://doi.org/10.17188/1279033. https://www.osti.gov/servlets/purl/1279033. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1279033,
title = {Materials Data on La3Ga4Cl by Materials Project},
author = {The Materials Project},
abstractNote = {La3Ga4Cl crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to eight equivalent Ga and two equivalent Cl atoms. There are a spread of La–Ga bond distances ranging from 3.23–3.45 Å. Both La–Cl bond lengths are 3.10 Å. In the second La site, La is bonded in a distorted linear geometry to eight equivalent Ga and two equivalent Cl atoms. All La–Ga bond lengths are 3.23 Å. Both La–Cl bond lengths are 2.86 Å. Ga is bonded in a 9-coordinate geometry to six La and three equivalent Ga atoms. There are two shorter (2.64 Å) and one longer (2.76 Å) Ga–Ga bond lengths. Cl is bonded to six La atoms to form corner-sharing ClLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°.},
doi = {10.17188/1279033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}