Materials Data on La3Ta(Cl3O2)2 by Materials Project
La3TaO4Cl6 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded in a 2-coordinate geometry to two equivalent O2- and six Cl1- atoms. Both La–O bond lengths are 2.40 Å. There are a spread of La–Cl bond distances ranging from 2.93–3.12 Å. Ta5+ is bonded to five O2- atoms to form corner-sharing TaO5 trigonal bipyramids. There is three shorter (1.91 Å) and two longer (2.01 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent La3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.