U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdBiClO2 by Materials Project
Abstract
CdBiO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CdBiO2Cl sheet oriented in the (1, 0, 0) direction. Cd2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.28–2.47 Å. The Cd–Cl bond length is 2.54 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cd2+ and one Bi3+ atom to form a mixture of corner and edge-sharing OCd3Bi tetrahedra. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCdBi3 tetrahedra. Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.
- Publication Date:
- Other Number(s):
- mp-550553
- 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; Bi-Cd-Cl-O; CdBiClO2; crystal structure
- OSTI Identifier:
- 1267427
- DOI:
- https://doi.org/10.17188/1267427
Citation Formats
Materials Data on CdBiClO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267427.
Materials Data on CdBiClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1267427
2020.
"Materials Data on CdBiClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1267427. https://www.osti.gov/servlets/purl/1267427. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1267427,
title = {Materials Data on CdBiClO2 by Materials Project},
abstractNote = {CdBiO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CdBiO2Cl sheet oriented in the (1, 0, 0) direction. Cd2+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.28–2.47 Å. The Cd–Cl bond length is 2.54 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cd2+ and one Bi3+ atom to form a mixture of corner and edge-sharing OCd3Bi tetrahedra. In the second O2- site, O2- is bonded to one Cd2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OCdBi3 tetrahedra. Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom.},
doi = {10.17188/1267427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}