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Materials Data on SiS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1674325· OSTI ID:1674325

SiS2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SiS2 sheet oriented in the (0, 0, 1) direction. Si4+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.14–2.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent Si4+ 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:
1674325
Report Number(s):
mp-1095294
Country of Publication:
United States
Language:
English

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