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Title: Materials Data on Sr2GdMoO6 by Materials Project

Abstract

Sr2GdMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.02 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are two shorter (2.28 Å) and four longer (2.30 Å) Gd–O bond lengths. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are a spread of Mo–O bond distances ranging from 2.00–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Mo5+ atom to form distorted corner-sharing OSr2GdMo tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1105454
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; Sr2GdMoO6; Gd-Mo-O-Sr
OSTI Identifier:
1654880
DOI:
https://doi.org/10.17188/1654880

Citation Formats

The Materials Project. Materials Data on Sr2GdMoO6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1654880.
The Materials Project. Materials Data on Sr2GdMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1654880
The Materials Project. 2018. "Materials Data on Sr2GdMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1654880. https://www.osti.gov/servlets/purl/1654880. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1654880,
title = {Materials Data on Sr2GdMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2GdMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–3.02 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are two shorter (2.28 Å) and four longer (2.30 Å) Gd–O bond lengths. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 24–30°. There are a spread of Mo–O bond distances ranging from 2.00–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Mo5+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Mo5+ atom to form distorted corner-sharing OSr2GdMo tetrahedra.},
doi = {10.17188/1654880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}