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Title: Materials Data on Sr2CoMoO6 by Materials Project

Abstract

Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent CoO6 octahedra. There are four shorter (2.74 Å) and eight longer (2.84 Å) Sr–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.94 Å) and two longer (1.95 Å) Mo–O bond length. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.21 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mo6+, and one Co2+ atom to form a mixture of distorted edge and corner-sharing OSr4CoMo octahedra. The corner-sharingmore » octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mo6+, and one Co2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-560723
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; Sr2CoMoO6; Co-Mo-O-Sr
OSTI Identifier:
1271627
DOI:
https://doi.org/10.17188/1271627

Citation Formats

The Materials Project. Materials Data on Sr2CoMoO6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1271627.
The Materials Project. Materials Data on Sr2CoMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1271627
The Materials Project. 2017. "Materials Data on Sr2CoMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1271627. https://www.osti.gov/servlets/purl/1271627. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1271627,
title = {Materials Data on Sr2CoMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent CoO6 octahedra. There are four shorter (2.74 Å) and eight longer (2.84 Å) Sr–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.94 Å) and two longer (1.95 Å) Mo–O bond length. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.21 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mo6+, and one Co2+ atom to form a mixture of distorted edge and corner-sharing OSr4CoMo octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mo6+, and one Co2+ atom.},
doi = {10.17188/1271627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}