Materials Data on Pb2Se(NO4)2 by Materials Project
Abstract
Pb2Se(NO4)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.85 Å. In the second Pb4+ site, Pb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.87 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.75 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two Pb4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb4+ and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-615850
- 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; Pb2Se(NO4)2; N-O-Pb-Se
- OSTI Identifier:
- 1277823
- DOI:
- https://doi.org/10.17188/1277823
Citation Formats
The Materials Project. Materials Data on Pb2Se(NO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277823.
The Materials Project. Materials Data on Pb2Se(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1277823
The Materials Project. 2020.
"Materials Data on Pb2Se(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1277823. https://www.osti.gov/servlets/purl/1277823. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1277823,
title = {Materials Data on Pb2Se(NO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2Se(NO4)2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.85 Å. In the second Pb4+ site, Pb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.87 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.75 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two Pb4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb4+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb4+ and one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Pb4+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Pb4+ and one Se2- atom.},
doi = {10.17188/1277823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}