Materials Data on CdBiBF10 by Materials Project
Abstract
Cd(BF4)(BiF6) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.33–2.43 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.01–2.07 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Cd2+ and one Bi5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196929
- 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; CdBiBF10; B-Bi-Cd-F
- OSTI Identifier:
- 1685768
- DOI:
- https://doi.org/10.17188/1685768
Citation Formats
The Materials Project. Materials Data on CdBiBF10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685768.
The Materials Project. Materials Data on CdBiBF10 by Materials Project. United States. doi:https://doi.org/10.17188/1685768
The Materials Project. 2020.
"Materials Data on CdBiBF10 by Materials Project". United States. doi:https://doi.org/10.17188/1685768. https://www.osti.gov/servlets/purl/1685768. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685768,
title = {Materials Data on CdBiBF10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(BF4)(BiF6) crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.33–2.43 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.01–2.07 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Cd2+ and one Bi5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Cd2+ and one Bi5+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the ninth F1- site, F1- is bonded in a distorted single-bond geometry to one Cd2+ and one B3+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.},
doi = {10.17188/1685768},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}