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Title: Materials Data on Gd2O3 by Materials Project

Abstract

Gd2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Gd3+ atoms to form OGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent OGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent OGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent OGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°.

Publication Date:
Other Number(s):
mp-20470
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; Gd2O3; Gd-O
OSTI Identifier:
1195599
DOI:
https://doi.org/10.17188/1195599

Citation Formats

The Materials Project. Materials Data on Gd2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195599.
The Materials Project. Materials Data on Gd2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1195599
The Materials Project. 2020. "Materials Data on Gd2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1195599. https://www.osti.gov/servlets/purl/1195599. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195599,
title = {Materials Data on Gd2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.25–2.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Gd3+ atoms to form OGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent OGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent OGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent OGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°.},
doi = {10.17188/1195599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}