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Title: Materials Data on LaGd(ClO)2 by Materials Project

Abstract

GdLa(OCl)2 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Gd–O bond lengths are 2.31 Å. There are four shorter (3.18 Å) and one longer (3.19 Å) Gd–Cl bond lengths. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All La–O bond lengths are 2.38 Å. There are one shorter (3.16 Å) and four longer (3.17 Å) La–Cl bond lengths. O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Gd3+ and four equivalent La3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222800
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaGd(ClO)2; Cl-Gd-La-O
OSTI Identifier:
1681279
DOI:
https://doi.org/10.17188/1681279

Citation Formats

The Materials Project. Materials Data on LaGd(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681279.
The Materials Project. Materials Data on LaGd(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681279
The Materials Project. 2020. "Materials Data on LaGd(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681279. https://www.osti.gov/servlets/purl/1681279. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681279,
title = {Materials Data on LaGd(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdLa(OCl)2 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Gd–O bond lengths are 2.31 Å. There are four shorter (3.18 Å) and one longer (3.19 Å) Gd–Cl bond lengths. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All La–O bond lengths are 2.38 Å. There are one shorter (3.16 Å) and four longer (3.17 Å) La–Cl bond lengths. O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Gd3+ and four equivalent La3+ atoms.},
doi = {10.17188/1681279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}