Materials Data on Ca2H6Os by Materials Project

Dataset · Sat May 09 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1741937· OSTI ID:1741937

The Materials Project

Ca2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent H+0.33- atoms to form CaH12 cuboctahedra that share corners with twelve equivalent CaH12 cuboctahedra, faces with six equivalent CaH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Ca–H bond lengths are 2.56 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent CaH12 cuboctahedra. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four equivalent Ca2+ and one Os2- atom to form a mixture of face, edge, and corner-sharing HCa4Os square pyramids.

• 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: 1741937
• Report Number(s): mp-1207196
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ca2H6Os
Ca-H-Os