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Title: Materials Data on Sr5La2Cl16 by Materials Project

Abstract

Sr5La2Cl16 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share corners with two equivalent LaCl6 octahedra and edges with two equivalent LaCl6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Sr–Cl bond distances ranging from 3.07–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.12 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (2.86 Å) and four longer (3.48 Å) Sr–Cl bond lengths. La3+ is bonded to six Cl1- atoms to form LaCl6 octahedra that share corners with two equivalent SrCl8 hexagonal bipyramids and edges with two equivalent SrCl8 hexagonal bipyramids. There are four shorter (2.74 Å) and two longer (2.82 Å) La–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Sr2+ atoms. In the second Cl1- site, Cl1- is bondedmore » in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one La3+ atom.« less

Publication Date:
Other Number(s):
mp-771889
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr5La2Cl16; Cl-La-Sr
OSTI Identifier:
1300918
DOI:
10.17188/1300918

Citation Formats

The Materials Project. Materials Data on Sr5La2Cl16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300918.
The Materials Project. Materials Data on Sr5La2Cl16 by Materials Project. United States. doi:10.17188/1300918.
The Materials Project. 2020. "Materials Data on Sr5La2Cl16 by Materials Project". United States. doi:10.17188/1300918. https://www.osti.gov/servlets/purl/1300918. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1300918,
title = {Materials Data on Sr5La2Cl16 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5La2Cl16 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share corners with two equivalent LaCl6 octahedra and edges with two equivalent LaCl6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Sr–Cl bond distances ranging from 3.07–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.12 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (2.86 Å) and four longer (3.48 Å) Sr–Cl bond lengths. La3+ is bonded to six Cl1- atoms to form LaCl6 octahedra that share corners with two equivalent SrCl8 hexagonal bipyramids and edges with two equivalent SrCl8 hexagonal bipyramids. There are four shorter (2.74 Å) and two longer (2.82 Å) La–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one La3+ atom.},
doi = {10.17188/1300918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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