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DOE OSTI · 1300917

Materials Data on Sr2LaCl7 by Materials Project

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Abstract

Sr2LaCl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.07–3.37 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.04–3.41 Å. La3+ is bonded in a distorted pentagonal bipyramidal geometry to seven Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.78–2.92 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the sixth Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ClSr3La tetrahedra. In the seventh Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ClSr3La tetrahedra.

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36 MATERIALS SCIENCECl-La-Srcrystal structureSr2LaCl7

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2020-04-29. Materials Data on Sr2LaCl7 by Materials Project. https://doi.org/10.17188/1300917

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