Materials Data on Sr2LaCl7 by Materials Project
Sr2LaCl7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven Cl1- atoms to form SrCl7 pentagonal bipyramids that share corners with three equivalent LaCl6 octahedra, corners with two equivalent SrCl7 pentagonal bipyramids, and an edgeedge with one LaCl6 octahedra. The corner-sharing octahedra tilt angles range from 39–54°. There are a spread of Sr–Cl bond distances ranging from 2.97–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.83–3.45 Å. La3+ is bonded to six Cl1- atoms to form LaCl6 octahedra that share corners with three equivalent SrCl7 pentagonal bipyramids and an edgeedge with one SrCl7 pentagonal bipyramid. There are a spread of La–Cl bond distances ranging from 2.72–2.85 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to two Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to one Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one La3+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1300877
- Report Number(s):
- mp-771833
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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