Materials Data on K2Ge2S5 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1266296· OSTI ID:1266296

K2Ge2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.22–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.62 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.14–2.28 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two K1+ and two Ge4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three K1+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ge4+ atoms. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent Ge4+ atoms.

• 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: 1266296
• Report Number(s): mp-541878
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-K-S
K2Ge2S5
crystal structure