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Materials Data on GeS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1278112· OSTI ID:1278112
GeS2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two GeS2 frameworks. 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. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent 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 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:
1278112
Report Number(s):
mp-622213
Country of Publication:
United States
Language:
English

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