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Title: Materials Data on Gd3InO6 by Materials Project

Abstract

Gd3InO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.65 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.34–2.49 Å. In3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.04 Å) and three longer (2.10 Å) In–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with six OGd4 tetrahedra, corners with six equivalent OGd3In trigonal pyramids, edges with three equivalent OGd4 tetrahedra, and an edgeedge with one OGd3In trigonal pyramid. In the second O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In trigonal pyramids that share corners with eight OGd4 tetrahedra, corners with two equivalent OGd3In trigonal pyramids, edges with two OGd4 tetrahedra, and an edgeedge with one OGd3In trigonalmore » pyramid. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one In3+ atom. In the fourth O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In tetrahedra that share corners with eight equivalent OGd4 tetrahedra, corners with four equivalent OGd3In trigonal pyramids, and edges with two equivalent OGd3In trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-756656
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; Gd3InO6; Gd-In-O
OSTI Identifier:
1290588
DOI:
https://doi.org/10.17188/1290588

Citation Formats

The Materials Project. Materials Data on Gd3InO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290588.
The Materials Project. Materials Data on Gd3InO6 by Materials Project. United States. doi:https://doi.org/10.17188/1290588
The Materials Project. 2020. "Materials Data on Gd3InO6 by Materials Project". United States. doi:https://doi.org/10.17188/1290588. https://www.osti.gov/servlets/purl/1290588. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290588,
title = {Materials Data on Gd3InO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3InO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.65 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.34–2.49 Å. In3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.04 Å) and three longer (2.10 Å) In–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with six OGd4 tetrahedra, corners with six equivalent OGd3In trigonal pyramids, edges with three equivalent OGd4 tetrahedra, and an edgeedge with one OGd3In trigonal pyramid. In the second O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In trigonal pyramids that share corners with eight OGd4 tetrahedra, corners with two equivalent OGd3In trigonal pyramids, edges with two OGd4 tetrahedra, and an edgeedge with one OGd3In trigonal pyramid. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one In3+ atom. In the fourth O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In tetrahedra that share corners with eight equivalent OGd4 tetrahedra, corners with four equivalent OGd3In trigonal pyramids, and edges with two equivalent OGd3In trigonal pyramids.},
doi = {10.17188/1290588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}