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Title: Materials Data on K2LaCl5 by Materials Project

Abstract

K2LaCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.21–3.41 Å. La3+ is bonded to seven Cl1- atoms to form distorted edge-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.82–2.91 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one La3+ atom to form distorted ClK4La trigonal bipyramids that share corners with four equivalent ClK4La trigonal bipyramids, corners with eight equivalent ClK2La2 trigonal pyramids, edges with three ClK4La trigonal bipyramids, edges with two equivalent ClK2La2 trigonal pyramids, and a faceface with one ClK4La trigonal bipyramid. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one La3+ atom to form distorted ClK4La trigonal bipyramids that share corners with eight ClK4La trigonal bipyramids, corners with four equivalent ClK2La2 trigonal pyramids, an edgeedge with one ClK4La trigonal bipyramid, edges with four equivalent ClK2La2 trigonal pyramids, and a faceface with one ClK4La trigonal bipyramid. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalentmore » K1+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded to two equivalent K1+ and two equivalent La3+ atoms to form distorted ClK2La2 trigonal pyramids that share corners with six ClK4La trigonal bipyramids, corners with six equivalent ClK2La2 trigonal pyramids, edges with three ClK4La trigonal bipyramids, and an edgeedge with one ClK2La2 trigonal pyramid.« less

Publication Date:
Other Number(s):
mp-1201545
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; K2LaCl5; Cl-K-La
OSTI Identifier:
1677688
DOI:
https://doi.org/10.17188/1677688

Citation Formats

The Materials Project. Materials Data on K2LaCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677688.
The Materials Project. Materials Data on K2LaCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1677688
The Materials Project. 2020. "Materials Data on K2LaCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1677688. https://www.osti.gov/servlets/purl/1677688. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677688,
title = {Materials Data on K2LaCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2LaCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.21–3.41 Å. La3+ is bonded to seven Cl1- atoms to form distorted edge-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.82–2.91 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one La3+ atom to form distorted ClK4La trigonal bipyramids that share corners with four equivalent ClK4La trigonal bipyramids, corners with eight equivalent ClK2La2 trigonal pyramids, edges with three ClK4La trigonal bipyramids, edges with two equivalent ClK2La2 trigonal pyramids, and a faceface with one ClK4La trigonal bipyramid. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one La3+ atom to form distorted ClK4La trigonal bipyramids that share corners with eight ClK4La trigonal bipyramids, corners with four equivalent ClK2La2 trigonal pyramids, an edgeedge with one ClK4La trigonal bipyramid, edges with four equivalent ClK2La2 trigonal pyramids, and a faceface with one ClK4La trigonal bipyramid. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded to two equivalent K1+ and two equivalent La3+ atoms to form distorted ClK2La2 trigonal pyramids that share corners with six ClK4La trigonal bipyramids, corners with six equivalent ClK2La2 trigonal pyramids, edges with three ClK4La trigonal bipyramids, and an edgeedge with one ClK2La2 trigonal pyramid.},
doi = {10.17188/1677688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}