Materials Data on SmCoAsO by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1752769· OSTI ID:1752769

SmCoAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CoAs sheet oriented in the (0, 0, 1) direction and one SmO sheet oriented in the (0, 0, 1) direction. In the CoAs sheet, Co2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.30 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Co2+ atoms. In the SmO sheet, Sm3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sm–O bond lengths are 2.31 Å. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1752769
• Report Number(s): mp-1091397
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Co-O-Sm
SmCoAsO
crystal structure