Materials Data on Tl4Pd3Cl10 by Materials Project

Abstract

Pd3Tl4Cl10 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.33–3.10 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.36 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.32–3.94 Å. In the second Tl1+ site, Tl1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.12–3.69 Å. In the third Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.24–3.81 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Pd2+ and four Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and four Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and four Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted square co-planar geometry to one Pd2+ and three Tl1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Pd2+ and three Tl1+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and five Tl1+ atoms.