Materials Data on SmAsS by Materials Project

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

DOI:https://doi.org/10.17188/1269897· OSTI ID:1269897

The Materials Project

SmAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.13–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.84–2.91 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (2.95 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.

• 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: 1269897
• Report Number(s): mp-557569
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SmAsS
As-S-Sm