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Title: Materials Data on GdSeClO3 by Materials Project

Abstract

GdSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing GdCl2O5 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.25–2.43 Å. There are one shorter (2.78 Å) and one longer (2.79 Å) Gd–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Gd3+ atoms.

Publication Date:
Other Number(s):
mp-556551
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; GdSeClO3; Cl-Gd-O-Se
OSTI Identifier:
1269414
DOI:
10.17188/1269414

Citation Formats

The Materials Project. Materials Data on GdSeClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269414.
The Materials Project. Materials Data on GdSeClO3 by Materials Project. United States. doi:10.17188/1269414.
The Materials Project. 2020. "Materials Data on GdSeClO3 by Materials Project". United States. doi:10.17188/1269414. https://www.osti.gov/servlets/purl/1269414. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269414,
title = {Materials Data on GdSeClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing GdCl2O5 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.25–2.43 Å. There are one shorter (2.78 Å) and one longer (2.79 Å) Gd–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Gd3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Gd3+ atoms.},
doi = {10.17188/1269414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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