Materials Data on La3Si2 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1186694· OSTI ID:1186694

The Materials Project

La3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent La+2.67+ sites. In the first La+2.67+ site, La+2.67+ is bonded in a hexagonal planar geometry to six equivalent Si4- atoms. There are four shorter (3.21 Å) and two longer (3.28 Å) La–Si bond lengths. In the second La+2.67+ site, La+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All La–Si bond lengths are 3.22 Å. Si4- is bonded in a 9-coordinate geometry to eight La+2.67+ and one Si4- atom. The Si–Si bond length is 2.45 Å.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1186694
• Report Number(s): mp-10162
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
La3Si2
La-Si