Materials Data on Ba(AlSi)2 by Materials Project

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

DOI:https://doi.org/10.17188/1272680· OSTI ID:1272680

The Materials Project

BaAl2Si2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are two shorter (3.32 Å) and four longer (3.39 Å) Ba–Si bond lengths. Al3+ is bonded in a T-shaped geometry to three equivalent Si4- atoms. There are two shorter (2.54 Å) and one longer (2.58 Å) Al–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to three equivalent Ba2+, three equivalent Al3+, and one Si4- atom. The Si–Si bond length is 2.41 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: 1272680
• Report Number(s): mp-567377
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ba(AlSi)2
Al-Ba-Si