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Title: Materials Data on LaH6(ClO3)3 by Materials Project

Abstract

LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La is bonded in a distorted q6 geometry to nine O atoms. There are three shorter (2.58 Å) and six longer (2.59 Å) La–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one La and two equivalent H atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554650
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; LaH6(ClO3)3; Cl-H-La-O
OSTI Identifier:
1268000
DOI:
10.17188/1268000

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaH6(ClO3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268000.
Persson, Kristin, & Project, Materials. Materials Data on LaH6(ClO3)3 by Materials Project. United States. doi:10.17188/1268000.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaH6(ClO3)3 by Materials Project". United States. doi:10.17188/1268000. https://www.osti.gov/servlets/purl/1268000. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1268000,
title = {Materials Data on LaH6(ClO3)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. La is bonded in a distorted q6 geometry to nine O atoms. There are three shorter (2.58 Å) and six longer (2.59 Å) La–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one La and two equivalent H atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one Cl atom. The O–Cl bond length is 1.58 Å. Cl is bonded in a bent 120 degrees geometry to two equivalent O atoms.},
doi = {10.17188/1268000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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