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Title: Materials Data on Sr2LaI7 by Materials Project

Abstract

Sr2LaI7 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 I1- atoms. There are a spread of Sr–I bond distances ranging from 3.44–3.91 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.42–3.91 Å. La3+ is bonded in a distorted pentagonal bipyramidal geometry to seven I1- atoms. There are a spread of La–I bond distances ranging from 3.17–3.36 Å. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to two Sr2+more » and one La3+ atom. In the sixth I1- site, I1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ISr3La tetrahedra. In the seventh I1- site, I1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ISr3La tetrahedra.« less

Publication Date:
Other Number(s):
mp-772022
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; Sr2LaI7; I-La-Sr
OSTI Identifier:
1301012
DOI:
https://doi.org/10.17188/1301012

Citation Formats

The Materials Project. Materials Data on Sr2LaI7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301012.
The Materials Project. Materials Data on Sr2LaI7 by Materials Project. United States. doi:https://doi.org/10.17188/1301012
The Materials Project. 2020. "Materials Data on Sr2LaI7 by Materials Project". United States. doi:https://doi.org/10.17188/1301012. https://www.osti.gov/servlets/purl/1301012. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301012,
title = {Materials Data on Sr2LaI7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2LaI7 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 I1- atoms. There are a spread of Sr–I bond distances ranging from 3.44–3.91 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.42–3.91 Å. La3+ is bonded in a distorted pentagonal bipyramidal geometry to seven I1- atoms. There are a spread of La–I bond distances ranging from 3.17–3.36 Å. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the sixth I1- site, I1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ISr3La tetrahedra. In the seventh I1- site, I1- is bonded to three Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ISr3La tetrahedra.},
doi = {10.17188/1301012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}