Materials Data on Ge2S5 by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1652542· OSTI ID:1652542

Ge2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetragermaadamantane-1,3,5,7-tetrakisthiolanion molecules. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the second Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.26 Å. In the third Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the fourth Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are ten inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the second S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the third S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fifth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the sixth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the seventh S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the eighth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the ninth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the tenth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom.

• 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: 1652542
• Report Number(s): mp-1193697
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-S
Ge2S5
crystal structure