Materials Data on Si19Te8 by Materials Project
(Si)3(Si2Te)8 crystallizes in the trigonal R3c space group. The structure is zero-dimensional and consists of eighteen silicone molecules and six Si2Te clusters. In each Si2Te cluster, there are six inequivalent Si+0.63+ sites. In the first Si+0.63+ site, Si+0.63+ is bonded in a linear geometry to two Te+1.50- atoms. There are one shorter (2.77 Å) and one longer (3.07 Å) Si–Te bond lengths. In the second Si+0.63+ site, Si+0.63+ is bonded in a linear geometry to two Te+1.50- atoms. There are one shorter (2.64 Å) and one longer (3.10 Å) Si–Te bond lengths. In the third Si+0.63+ site, Si+0.63+ is bonded in a single-bond geometry to one Te+1.50- atom. The Si–Te bond length is 2.62 Å. In the fourth Si+0.63+ site, Si+0.63+ is bonded in a single-bond geometry to one Te+1.50- atom. The Si–Te bond length is 2.63 Å. In the fifth Si+0.63+ site, Si+0.63+ is bonded in a single-bond geometry to one Te+1.50- atom. The Si–Te bond length is 2.70 Å. In the sixth Si+0.63+ site, Si+0.63+ is bonded in a linear geometry to two Te+1.50- atoms. There are one shorter (2.64 Å) and one longer (3.10 Å) Si–Te bond lengths. There are four inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to four Si+0.63+ atoms to form distorted corner-sharing TeSi4 tetrahedra. In the second Te+1.50- site, Te+1.50- is bonded in a trigonal non-coplanar geometry to three Si+0.63+ atoms. In the third Te+1.50- site, Te+1.50- is bonded in a distorted bent 120 degrees geometry to two Si+0.63+ atoms. In the fourth Te+1.50- site, Te+1.50- is bonded to four Si+0.63+ atoms to form distorted corner-sharing TeSi4 tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1205450
- Report Number(s):
- mp-31135
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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