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Title: Materials Data on GdAsO3 by Materials Project

Abstract

GdAsO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 pentagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.49 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-753953
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; GdAsO3; As-Gd-O
OSTI Identifier:
1289193
DOI:
https://doi.org/10.17188/1289193

Citation Formats

The Materials Project. Materials Data on GdAsO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289193.
The Materials Project. Materials Data on GdAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289193
The Materials Project. 2020. "Materials Data on GdAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289193. https://www.osti.gov/servlets/purl/1289193. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1289193,
title = {Materials Data on GdAsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdAsO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 pentagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.49 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As3+ atom.},
doi = {10.17188/1289193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}