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Title: Materials Data on SrGdCoO4 by Materials Project

Abstract

GdSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.70 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.69 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Co–O bond distances ranging from 1.90–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSrGd4Co octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSr4GdCo octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Co3+ atoms.

Publication Date:
Other Number(s):
mp-1218232
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; SrGdCoO4; Co-Gd-O-Sr
OSTI Identifier:
1679779
DOI:
https://doi.org/10.17188/1679779

Citation Formats

The Materials Project. Materials Data on SrGdCoO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679779.
The Materials Project. Materials Data on SrGdCoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1679779
The Materials Project. 2020. "Materials Data on SrGdCoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1679779. https://www.osti.gov/servlets/purl/1679779. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679779,
title = {Materials Data on SrGdCoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {GdSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.70 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.69 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Co–O bond distances ranging from 1.90–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSrGd4Co octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Gd3+, and one Co3+ atom to form a mixture of distorted edge and corner-sharing OSr4GdCo octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Co3+ atoms.},
doi = {10.17188/1679779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}