Materials Data on Si19Te8 by Materials Project
Abstract
(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 firstmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-31135
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Si19Te8; Si-Te
- OSTI Identifier:
- 1205450
- DOI:
- https://doi.org/10.17188/1205450
Citation Formats
The Materials Project. Materials Data on Si19Te8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205450.
The Materials Project. Materials Data on Si19Te8 by Materials Project. United States. doi:https://doi.org/10.17188/1205450
The Materials Project. 2020.
"Materials Data on Si19Te8 by Materials Project". United States. doi:https://doi.org/10.17188/1205450. https://www.osti.gov/servlets/purl/1205450. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1205450,
title = {Materials Data on Si19Te8 by Materials Project},
author = {The Materials Project},
abstractNote = {(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.},
doi = {10.17188/1205450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}