Materials Data on GeS2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1704340· OSTI ID:1704340

GeS2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six 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 2.24–2.26 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 2.24–2.26 Å. In the third 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 2.24–2.26 Å. In the fourth 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 2.24–2.26 Å. In the fifth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. In the sixth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are three shorter (2.25 Å) and one longer (2.26 Å) Ge–S bond lengths. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the ninth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the tenth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eleventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the twelfth S2- site, S2- is bonded in a water-like geometry to two 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: 1704340
• Report Number(s): mp-1197287
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-S
GeS2
crystal structure