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Title: Materials Data on Gd2AsO5 by Materials Project

Abstract

Gd2AsO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.62 Å. There are two inequivalent As sites. In the first As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.84 Å. In the second As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.83 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Gd and one As atom to form a mixture of distorted edge and corner-sharing OGd3As tetrahedra. In the second O site, O is bonded in a 4-coordinate geometry to three equivalent Gd and one As atom. In the third O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with four equivalent OGd3As tetrahedra and edges with six OGd4 tetrahedra. In the fourth O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with twelve equivalentmore » OGd3As tetrahedra and edges with two equivalent OGd4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-767401
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; Gd2AsO5; As-Gd-O
OSTI Identifier:
1297577
DOI:
https://doi.org/10.17188/1297577

Citation Formats

The Materials Project. Materials Data on Gd2AsO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297577.
The Materials Project. Materials Data on Gd2AsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1297577
The Materials Project. 2020. "Materials Data on Gd2AsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1297577. https://www.osti.gov/servlets/purl/1297577. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1297577,
title = {Materials Data on Gd2AsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2AsO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.62 Å. There are two inequivalent As sites. In the first As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.84 Å. In the second As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.83 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Gd and one As atom to form a mixture of distorted edge and corner-sharing OGd3As tetrahedra. In the second O site, O is bonded in a 4-coordinate geometry to three equivalent Gd and one As atom. In the third O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with four equivalent OGd3As tetrahedra and edges with six OGd4 tetrahedra. In the fourth O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with twelve equivalent OGd3As tetrahedra and edges with two equivalent OGd4 tetrahedra.},
doi = {10.17188/1297577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}