Materials Data on KLi2As by Materials Project

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

DOI:https://doi.org/10.17188/1203045· OSTI ID:1203045

The Materials Project

KLi2As crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing KAs4 tetrahedra. There are two shorter (3.57 Å) and two longer (3.69 Å) K–As bond lengths. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. There are one shorter (2.62 Å) and two longer (2.63 Å) Li–As bond lengths. As3- is bonded in a 6-coordinate geometry to four equivalent K1+ and six equivalent Li1+ atoms.

• 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: 1203045
• Report Number(s): mp-28994
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KLi2As
As-K-Li