Materials Data on BiH14C4S8N5O by Materials Project
Abstract
C4BiH8(NS2)4NH4H2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonium molecules, four water molecules, and four C4BiH8(NS2)4 clusters. In each C4BiH8(NS2)4 cluster, there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.34 Å. There is one shorter (1.71 Å) and one longer (1.72 Å) C–S bond length. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.34 Å. Both C–S bond lengths are 1.72 Å. In the third C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.33 Å. Both C–S bond lengths are 1.72 Å. In the fourth C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.33 Å. Both C–S bond lengths are 1.72 Å. Bi3+ is bonded in a distorted hexagonal bipyramidal geometry to eight S2- atoms. There are a spread ofmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199579
- 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; BiH14C4S8N5O; Bi-C-H-N-O-S
- OSTI Identifier:
- 1759296
- DOI:
- https://doi.org/10.17188/1759296
Citation Formats
The Materials Project. Materials Data on BiH14C4S8N5O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1759296.
The Materials Project. Materials Data on BiH14C4S8N5O by Materials Project. United States. doi:https://doi.org/10.17188/1759296
The Materials Project. 2020.
"Materials Data on BiH14C4S8N5O by Materials Project". United States. doi:https://doi.org/10.17188/1759296. https://www.osti.gov/servlets/purl/1759296. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759296,
title = {Materials Data on BiH14C4S8N5O by Materials Project},
author = {The Materials Project},
abstractNote = {C4BiH8(NS2)4NH4H2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonium molecules, four water molecules, and four C4BiH8(NS2)4 clusters. In each C4BiH8(NS2)4 cluster, there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.34 Å. There is one shorter (1.71 Å) and one longer (1.72 Å) C–S bond length. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.34 Å. Both C–S bond lengths are 1.72 Å. In the third C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.33 Å. Both C–S bond lengths are 1.72 Å. In the fourth C4+ site, C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.33 Å. Both C–S bond lengths are 1.72 Å. Bi3+ is bonded in a distorted hexagonal bipyramidal geometry to eight S2- atoms. There are a spread of Bi–S bond distances ranging from 2.81–3.06 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- 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 N3- atom. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to one C4+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to one C4+ and one Bi3+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one C4+ and one Bi3+ atom. In the fourth S2- site, S2- is bonded in an L-shaped geometry to one C4+ and one Bi3+ atom. In the fifth S2- site, S2- is bonded in an L-shaped geometry to one C4+ and one Bi3+ atom. In the sixth S2- site, S2- is bonded in a distorted L-shaped geometry to one C4+ and one Bi3+ atom. In the seventh S2- site, S2- is bonded in an L-shaped geometry to one C4+ and one Bi3+ atom. In the eighth S2- site, S2- is bonded in a distorted L-shaped geometry to one C4+ and one Bi3+ atom.},
doi = {10.17188/1759296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}