Materials Data on Sc2AlSi2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1187280· OSTI ID:1187280

The Materials Project

AlSc2Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc+2.50+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (2.73 Å) and four longer (2.84 Å) Sc–Si bond lengths. Al3+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Al–Si bond lengths are 2.61 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Sc+2.50+, two equivalent Al3+, and one Si4- atom. The Si–Si bond length is 2.36 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: 1187280
• Report Number(s): mp-10676
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Sc2AlSi2
Al-Sc-Si