Materials Data on SiS2 by Materials Project
SiS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing SiS4 tetrahedra. There are two shorter (2.15 Å) and two longer (2.16 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing SiS4 tetrahedra. There are three shorter (2.15 Å) and one longer (2.17 Å) Si–S bond lengths. In the third Si4+ site, Si4+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing SiS4 tetrahedra. There are two shorter (2.15 Å) and two longer (2.16 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two Si4+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Si4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two Si4+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two Si4+ atoms. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two 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:
- 1740282
- Report Number(s):
- mp-1194773
- Country of Publication:
- United States
- Language:
- English
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Materials Data on SiS2 by Materials Project
Materials Data on SiS2 by Materials Project