Materials Data on K5Li2PrF10 by Materials Project
K5PrLi2F10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.06 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.69–3.13 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.59–2.77 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–1.89 Å. In the second Li1+ site, Li1+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–1.87 Å. Pr3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pr–F bond distances ranging from 2.37–2.47 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent K1+, one Li1+, and one Pr3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Li1+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to four K1+, one Li1+, and one Pr3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to four K1+, one Li1+, and one Pr3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Li1+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three K1+, one Li1+, and one Pr3+ atom. In the eighth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom.