Materials Data on CrAs2 by Materials Project

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

DOI:https://doi.org/10.17188/1191316· OSTI ID:1191316

The Materials Project

CrAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Cr–As bond distances ranging from 2.47–2.66 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 5-coordinate geometry to five equivalent Cr6+ atoms. In the second As3- site, As3- is bonded in a 3-coordinate geometry to three equivalent Cr6+ and three equivalent As3- atoms. There are one shorter (2.45 Å) and two longer (2.65 Å) As–As bond lengths.

• 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: 1191316
• Report Number(s): mp-15681
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CrAs2
As-Cr