Materials Data on Pr2Au5F21 by Materials Project
Pr2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.30–2.55 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There is one shorter (1.96 Å) and three longer (1.97 Å) Au–F bond length. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Pr3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Pr3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a distorted linear geometry to one Pr3+ and one Au3+ atom.