Materials Data on BaCaGe by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1191699· OSTI ID:1191699

The Materials Project

BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca 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: 1191699
• Report Number(s): mp-16252
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaCaGe
Ba-Ca-Ge