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-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.