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Title: Materials Data on Gd2MnCoO6 by Materials Project

Abstract

Gd2CoMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.65 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Mn–O bond distances ranging from 1.91–1.97 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Co–O bond distances ranging from 1.99–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+, one Mn2+, and one Co4+ atom to form distorted corner-sharing OGd2MnCo trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom.

Publication Date:
Other Number(s):
mp-1224833
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; Gd2MnCoO6; Co-Gd-Mn-O
OSTI Identifier:
1684251
DOI:
https://doi.org/10.17188/1684251

Citation Formats

The Materials Project. Materials Data on Gd2MnCoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684251.
The Materials Project. Materials Data on Gd2MnCoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1684251
The Materials Project. 2020. "Materials Data on Gd2MnCoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1684251. https://www.osti.gov/servlets/purl/1684251. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1684251,
title = {Materials Data on Gd2MnCoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2CoMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.65 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Mn–O bond distances ranging from 1.91–1.97 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are a spread of Co–O bond distances ranging from 1.99–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+, one Mn2+, and one Co4+ atom to form distorted corner-sharing OGd2MnCo trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Gd3+, one Mn2+, and one Co4+ atom.},
doi = {10.17188/1684251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}