Materials Data on CoAsS by Materials Project

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

DOI:https://doi.org/10.17188/1277741· OSTI ID:1277741

The Materials Project

CoAsS crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of one CoAsS sheet oriented in the (0, 1, 0) direction. Co3+ is bonded in a 5-coordinate geometry to three equivalent As1- and two equivalent S2- atoms. There are a spread of Co–As bond distances ranging from 2.34–2.46 Å. There are one shorter (2.14 Å) and one longer (2.20 Å) Co–S bond lengths. As1- is bonded in a 4-coordinate geometry to three equivalent Co3+ and one S2- atom. The As–S bond length is 2.40 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one As1- atom.

• 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: 1277741
• Report Number(s): mp-613314
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CoAsS
As-Co-S