Materials Data on CdAg2GeS4 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1267739· OSTI ID:1267739

Ag2CdGeS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.60 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.55–2.61 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.27 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdAg2Ge tetrahedra. In the second S2- site, S2- is bonded to two equivalent Ag1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdAg2Ge tetrahedra. In the third S2- site, S2- is bonded to two equivalent Ag1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdAg2Ge tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1267739
• Report Number(s): mp-554105
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Cd-Ge-S
CdAg2GeS4
crystal structure