Materials Data on Ca(CuSn)2 by Materials Project

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

DOI:https://doi.org/10.17188/1274853· OSTI ID:1274853

The Materials Project

CaCu2Sn2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Cu and eight equivalent Sn atoms. There are two shorter (3.16 Å) and four longer (3.27 Å) Ca–Cu bond lengths. There are four shorter (3.46 Å) and four longer (3.67 Å) Ca–Sn bond lengths. Cu is bonded in a 9-coordinate geometry to three equivalent Ca, two equivalent Cu, and four equivalent Sn atoms. Both Cu–Cu bond lengths are 2.55 Å. There are two shorter (2.63 Å) and two longer (2.68 Å) Cu–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Cu, and one Sn atom. The Sn–Sn bond length is 3.01 Å.

• 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: 1274853
• Report Number(s): mp-568974
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ca(CuSn)2
Ca-Cu-Sn