Materials Data on GeSb2H16C4(S3N)2 by Materials Project
Abstract
GeC4Sb2H16(NS3)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. All Ge–S bond lengths are 2.24 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C2- site, C2- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.86 Å. N3- is bonded in a tetrahedral geometry to two C2- and two H1+ atoms. There is one shorter (1.05 Å) and one longer (1.07 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199720
- 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; GeSb2H16C4(S3N)2; C-Ge-H-N-S-Sb
- OSTI Identifier:
- 1692518
- DOI:
- https://doi.org/10.17188/1692518
Citation Formats
The Materials Project. Materials Data on GeSb2H16C4(S3N)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1692518.
The Materials Project. Materials Data on GeSb2H16C4(S3N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1692518
The Materials Project. 2020.
"Materials Data on GeSb2H16C4(S3N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1692518. https://www.osti.gov/servlets/purl/1692518. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1692518,
title = {Materials Data on GeSb2H16C4(S3N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GeC4Sb2H16(NS3)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. All Ge–S bond lengths are 2.24 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C2- site, C2- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.49 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.86 Å. N3- is bonded in a tetrahedral geometry to two C2- and two H1+ atoms. There is one shorter (1.05 Å) and one longer (1.07 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one S2- atom. The H–S bond length is 2.14 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to one Ge4+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Ge4+, one Sb3+, and one H1+ atom.},
doi = {10.17188/1692518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}