DOE OSTI2014
BiF4BiF6 is alpha structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BiF4 cluster and one BiF6 cluster. In the BiF4 cluster, Bi5+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Bi–F bond distances ranging from 1.68–2.15 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the BiF6 cluster, Bi5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.21–2.33 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Bi5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.