Materials Data on Cr2H2Pb4ClO10F by Materials Project
Abstract
Cr2Pb4H2O10ClF crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. In the second Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven O2-, one Cl1-, and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.48–3.24 Å. The Pb–Cl bond length is 3.09 Å. The Pb–F bond length is 2.80 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.42–2.95 Å. The Pb–F bond length is 2.51 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.44–2.94 Å. The Pb–F bond lengthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226437
- 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; Cr2H2Pb4ClO10F; Cl-Cr-F-H-O-Pb
- OSTI Identifier:
- 1718708
- DOI:
- https://doi.org/10.17188/1718708
Citation Formats
The Materials Project. Materials Data on Cr2H2Pb4ClO10F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718708.
The Materials Project. Materials Data on Cr2H2Pb4ClO10F by Materials Project. United States. doi:https://doi.org/10.17188/1718708
The Materials Project. 2020.
"Materials Data on Cr2H2Pb4ClO10F by Materials Project". United States. doi:https://doi.org/10.17188/1718708. https://www.osti.gov/servlets/purl/1718708. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1718708,
title = {Materials Data on Cr2H2Pb4ClO10F by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2Pb4H2O10ClF crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. In the second Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven O2-, one Cl1-, and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.48–3.24 Å. The Pb–Cl bond length is 3.09 Å. The Pb–F bond length is 2.80 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.42–2.95 Å. The Pb–F bond length is 2.51 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.44–2.94 Å. The Pb–F bond length is 2.53 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Pb2+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one H1+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb2+ atoms. F1- is bonded in a 4-coordinate geometry to four Pb2+ atoms.},
doi = {10.17188/1718708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}