Materials Data on BaCdGe by Materials Project

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

DOI:https://doi.org/10.17188/1188397· OSTI ID:1188397

The Materials Project

BaCdGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cd and six equivalent Ge atoms to form a mixture of face and edge-sharing BaCd6Ge6 cuboctahedra. All Ba–Cd bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.66 Å. Cd is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Ge atoms. All Cd–Ge bond lengths are 2.75 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cd atoms.

• 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: 1188397
• Report Number(s): mp-11816
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaCdGe
Ba-Cd-Ge