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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrLa2Cl8 by Materials Project

SrLa2Cl8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. There are two shorter (3.03 Å) and two longer (3.14 Å) Sr–Cl bond lengths. La3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.88–2.95 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two equivalent La3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrLa2Cl8 by Materials Project

SrLa2Cl8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.88 Å. La3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.72–3.06 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent La3+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sr2+ and one La3+ atom.

36 MATERIALS SCIENCE↗