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Title: Materials Data on Sr2LaCl7 by Materials Project

Abstract

Sr2LaCl7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven Cl1- atoms to form distorted SrCl7 pentagonal bipyramids that share a cornercorner with one SrCl7 pentagonal bipyramid, a cornercorner with one LaCl7 pentagonal bipyramid, edges with three equivalent SrCl7 pentagonal bipyramids, and edges with three equivalent LaCl7 pentagonal bipyramids. There are a spread of Sr–Cl bond distances ranging from 2.95–3.08 Å. La3+ is bonded to seven Cl1- atoms to form LaCl7 pentagonal bipyramids that share corners with two equivalent SrCl7 pentagonal bipyramids and edges with six equivalent SrCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.85–2.90 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. Inmore » the fifth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-768633
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2LaCl7; Cl-La-Sr
OSTI Identifier:
1298472
DOI:
https://doi.org/10.17188/1298472

Citation Formats

The Materials Project. Materials Data on Sr2LaCl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298472.
The Materials Project. Materials Data on Sr2LaCl7 by Materials Project. United States. doi:https://doi.org/10.17188/1298472
The Materials Project. 2020. "Materials Data on Sr2LaCl7 by Materials Project". United States. doi:https://doi.org/10.17188/1298472. https://www.osti.gov/servlets/purl/1298472. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1298472,
title = {Materials Data on Sr2LaCl7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2LaCl7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven Cl1- atoms to form distorted SrCl7 pentagonal bipyramids that share a cornercorner with one SrCl7 pentagonal bipyramid, a cornercorner with one LaCl7 pentagonal bipyramid, edges with three equivalent SrCl7 pentagonal bipyramids, and edges with three equivalent LaCl7 pentagonal bipyramids. There are a spread of Sr–Cl bond distances ranging from 2.95–3.08 Å. La3+ is bonded to seven Cl1- atoms to form LaCl7 pentagonal bipyramids that share corners with two equivalent SrCl7 pentagonal bipyramids and edges with six equivalent SrCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.85–2.90 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom.},
doi = {10.17188/1298472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}