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Title: Materials Data on KLaMoO5 by Materials Project

Abstract

KLaMoO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to twelve O2- atoms. There are four shorter (2.95 Å) and eight longer (3.39 Å) K–O bond lengths. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.52 Å. Mo6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.91 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+, two equivalent La3+, and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1147623
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; KLaMoO5; K-La-Mo-O
OSTI Identifier:
1752818
DOI:
https://doi.org/10.17188/1752818

Citation Formats

The Materials Project. Materials Data on KLaMoO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752818.
The Materials Project. Materials Data on KLaMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1752818
The Materials Project. 2020. "Materials Data on KLaMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1752818. https://www.osti.gov/servlets/purl/1752818. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1752818,
title = {Materials Data on KLaMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {KLaMoO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to twelve O2- atoms. There are four shorter (2.95 Å) and eight longer (3.39 Å) K–O bond lengths. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.52 Å. Mo6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.91 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+, two equivalent La3+, and one Mo6+ atom.},
doi = {10.17188/1752818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}