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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1196929
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2020},
month = {5}
}