Materials Data on La(SiIr)2 by Materials Project
Abstract
La(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.22 Å) and four longer (3.25 Å) La–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. All Ir–Si bond lengths are 2.46 Å. In the second Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La2+ and five Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Ir3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-10152
- 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; La(SiIr)2; Ir-La-Si
- OSTI Identifier:
- 1186681
- DOI:
- https://doi.org/10.17188/1186681
Citation Formats
The Materials Project. Materials Data on La(SiIr)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186681.
The Materials Project. Materials Data on La(SiIr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1186681
The Materials Project. 2020.
"Materials Data on La(SiIr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1186681. https://www.osti.gov/servlets/purl/1186681. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1186681,
title = {Materials Data on La(SiIr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.22 Å) and four longer (3.25 Å) La–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. All Ir–Si bond lengths are 2.46 Å. In the second Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La2+ and five Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Ir3+ atoms.},
doi = {10.17188/1186681},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}