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Title: Materials Data on GdAsO4 by Materials Project

Abstract

GdAsO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with two equivalent GdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.40 Å) Gd–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and one As5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-753958
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; GdAsO4; As-Gd-O
OSTI Identifier:
1289197
DOI:
https://doi.org/10.17188/1289197

Citation Formats

The Materials Project. Materials Data on GdAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289197.
The Materials Project. Materials Data on GdAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289197
The Materials Project. 2020. "Materials Data on GdAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289197. https://www.osti.gov/servlets/purl/1289197. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289197,
title = {Materials Data on GdAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {GdAsO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with two equivalent GdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.40 Å) Gd–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and one As5+ atom.},
doi = {10.17188/1289197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}