Materials Data on BaAg2GeSe4 by Materials Project

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

DOI:https://doi.org/10.17188/1275264· OSTI ID:1275264

The Materials Project

BaAg2GeSe4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.45 Å) and four longer (3.48 Å) Ba–Se bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.63 Å) and two longer (2.89 Å) Ag–Se bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Ge–Se bond lengths are 2.40 Å. Se2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Ag1+, and one Ge4+ atom.

• 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: 1275264
• Report Number(s): mp-569790
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaAg2GeSe4
Ag-Ba-Ge-Se