U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pb3(NO4)2 by Materials Project
Abstract
Pb3(NO4)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pb3(NO4)2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.41 Å) and two longer (2.42 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–3.19 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.31 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one N5+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-1201318
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; N-O-Pb; Pb3(NO4)2; crystal structure
- OSTI Identifier:
- 1740135
- DOI:
- https://doi.org/10.17188/1740135
Citation Formats
Materials Data on Pb3(NO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740135.
Materials Data on Pb3(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740135
2020.
"Materials Data on Pb3(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740135. https://www.osti.gov/servlets/purl/1740135. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1740135,
title = {Materials Data on Pb3(NO4)2 by Materials Project},
abstractNote = {Pb3(NO4)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pb3(NO4)2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.41 Å) and two longer (2.42 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–3.19 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.31 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.},
doi = {10.17188/1740135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}