U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PC2S2N3 by Materials Project
Abstract
C2PN3S2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one C2PN3S2 cluster. there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the fourth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.66 Å) P–N bond length. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-652353
- 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; PC2S2N3; C-N-P-S
- OSTI Identifier:
- 1281157
- DOI:
- https://doi.org/10.17188/1281157
Citation Formats
The Materials Project. Materials Data on PC2S2N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281157.
The Materials Project. Materials Data on PC2S2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1281157
The Materials Project. 2020.
"Materials Data on PC2S2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1281157. https://www.osti.gov/servlets/purl/1281157. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281157,
title = {Materials Data on PC2S2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {C2PN3S2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one C2PN3S2 cluster. there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. In the fourth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.56 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.66 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.57–1.66 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one C4+ and one P5+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one C4+ and one P5+ atom. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to one C4+ and one P5+ atom. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to one C4+ and one P5+ atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one C4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one C4+ atom. In the fourth S2- site, S2- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1281157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}