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Title: Materials Data on FePbC5N6O by Materials Project

Abstract

FePbC5N6O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded in a distorted single-bond geometry to five C+3.20+ and one N3- atom. There is four shorter (1.92 Å) and one longer (1.94 Å) Fe–C bond length. The Fe–N bond length is 1.67 Å. Pb2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Pb–N bond distances ranging from 2.43–2.64 Å. There are three inequivalent C+3.20+ sites. In the first C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Fe2+ and one O2- atom. The N–O bond length is 1.15 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometrymore » to one Pb2+ and one C+3.20+ atom. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one C+3.20+ atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one C+3.20+ atom. O2- is bonded in a single-bond geometry to one N3- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-640765
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; FePbC5N6O; C-Fe-N-O-Pb
OSTI Identifier:
1279964
DOI:
https://doi.org/10.17188/1279964

Citation Formats

The Materials Project. Materials Data on FePbC5N6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279964.
The Materials Project. Materials Data on FePbC5N6O by Materials Project. United States. doi:https://doi.org/10.17188/1279964
The Materials Project. 2020. "Materials Data on FePbC5N6O by Materials Project". United States. doi:https://doi.org/10.17188/1279964. https://www.osti.gov/servlets/purl/1279964. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1279964,
title = {Materials Data on FePbC5N6O by Materials Project},
author = {The Materials Project},
abstractNote = {FePbC5N6O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded in a distorted single-bond geometry to five C+3.20+ and one N3- atom. There is four shorter (1.92 Å) and one longer (1.94 Å) Fe–C bond length. The Fe–N bond length is 1.67 Å. Pb2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Pb–N bond distances ranging from 2.43–2.64 Å. There are three inequivalent C+3.20+ sites. In the first C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.20+ site, C+3.20+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Fe2+ and one O2- atom. The N–O bond length is 1.15 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Pb2+ and one C+3.20+ atom. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one C+3.20+ atom. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Pb2+ and one C+3.20+ atom. O2- is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1279964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}