Materials Data on Pb(C2N3)2 by Materials Project
Abstract
Pb(C2N3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Pb–N bond distances ranging from 2.69–3.19 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.29 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fourth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.28 Å) C–N bond length. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one Pb2+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted single-bondmore »
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-669517
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Pb(C2N3)2; C-N-Pb
- OSTI Identifier:
- 1281649
- DOI:
- 10.17188/1281649
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Pb(C2N3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281649.
Persson, Kristin, & Project, Materials. Materials Data on Pb(C2N3)2 by Materials Project. United States. doi:10.17188/1281649.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on Pb(C2N3)2 by Materials Project". United States. doi:10.17188/1281649. https://www.osti.gov/servlets/purl/1281649. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281649,
title = {Materials Data on Pb(C2N3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb(C2N3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Pb–N bond distances ranging from 2.69–3.19 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.29 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fourth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.28 Å) C–N bond length. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one Pb2+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to one Pb2+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the sixth N3- site, N3- is bonded in a bent 120 degrees geometry to one Pb2+ and two C4+ atoms.},
doi = {10.17188/1281649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}