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Title: Materials Data on Sr3La2Cl12 by Materials Project

Abstract

Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–3.19 Å. La3+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.83–3.18 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 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 two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded to twomore » Sr2+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing ClSr2La2 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom.« less

Publication Date:
Other Number(s):
mp-768615
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; Sr3La2Cl12; Cl-La-Sr
OSTI Identifier:
1298471
DOI:
10.17188/1298471

Citation Formats

The Materials Project. Materials Data on Sr3La2Cl12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298471.
The Materials Project. Materials Data on Sr3La2Cl12 by Materials Project. United States. doi:10.17188/1298471.
The Materials Project. 2020. "Materials Data on Sr3La2Cl12 by Materials Project". United States. doi:10.17188/1298471. https://www.osti.gov/servlets/purl/1298471. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298471,
title = {Materials Data on Sr3La2Cl12 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–3.19 Å. La3+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.83–3.18 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 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 two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded to two Sr2+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing ClSr2La2 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom.},
doi = {10.17188/1298471},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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