Materials Data on CeCO3F by Materials Project
Abstract
CeCO3F crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to six O2- and three F1- atoms. There are four shorter (2.58 Å) and two longer (2.61 Å) Ce–O bond lengths. There are two shorter (2.41 Å) and one longer (2.44 Å) Ce–F bond lengths. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Ce3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20288
- 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; CeCO3F; C-Ce-F-O
- OSTI Identifier:
- 1195415
- DOI:
- https://doi.org/10.17188/1195415
Citation Formats
The Materials Project. Materials Data on CeCO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195415.
The Materials Project. Materials Data on CeCO3F by Materials Project. United States. doi:https://doi.org/10.17188/1195415
The Materials Project. 2020.
"Materials Data on CeCO3F by Materials Project". United States. doi:https://doi.org/10.17188/1195415. https://www.osti.gov/servlets/purl/1195415. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1195415,
title = {Materials Data on CeCO3F by Materials Project},
author = {The Materials Project},
abstractNote = {CeCO3F crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to six O2- and three F1- atoms. There are four shorter (2.58 Å) and two longer (2.61 Å) Ce–O bond lengths. There are two shorter (2.41 Å) and one longer (2.44 Å) Ce–F bond lengths. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Ce3+ atoms.},
doi = {10.17188/1195415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}