Materials Data on Pb3(ClO)2 by Materials Project
Abstract
Pb3O2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to four equivalent O2- and three Cl1- atoms. There are two shorter (2.38 Å) and two longer (2.49 Å) Pb–O bond lengths. There are one shorter (3.43 Å) and two longer (3.44 Å) Pb–Cl bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.25 Å. There are a spread of Pb–Cl bond distances ranging from 2.89–3.61 Å. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.98–3.32 Å. O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 7-coordinate geometry to seven Pb2+ atoms.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1262815
- Report Number(s):
- mp-510030
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Pb3(ClO)2; Cl-O-Pb
Citation Formats
The Materials Project. Materials Data on Pb3(ClO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262815.
The Materials Project. Materials Data on Pb3(ClO)2 by Materials Project. United States. https://doi.org/10.17188/1262815
The Materials Project. 2020.
"Materials Data on Pb3(ClO)2 by Materials Project". United States. https://doi.org/10.17188/1262815. https://www.osti.gov/servlets/purl/1262815.
@article{osti_1262815,
title = {Materials Data on Pb3(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3O2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to four equivalent O2- and three Cl1- atoms. There are two shorter (2.38 Å) and two longer (2.49 Å) Pb–O bond lengths. There are one shorter (3.43 Å) and two longer (3.44 Å) Pb–Cl bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.25 Å. There are a spread of Pb–Cl bond distances ranging from 2.89–3.61 Å. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.98–3.32 Å. O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 7-coordinate geometry to seven Pb2+ atoms.},
doi = {10.17188/1262815},
url = {https://www.osti.gov/biblio/1262815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}