U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr5(CoO3)4 by Materials Project
Abstract
Sr5Co4O12 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.78 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.14 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.09 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.13 Å. There are twelve inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.88 Å) and three longer (1.93 Å) Co–O bond length. In the second Co+3.50+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-704141
- 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; Sr5(CoO3)4; Co-O-Sr
- OSTI Identifier:
- 1285674
- DOI:
- https://doi.org/10.17188/1285674
Citation Formats
The Materials Project. Materials Data on Sr5(CoO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285674.
The Materials Project. Materials Data on Sr5(CoO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1285674
The Materials Project. 2020.
"Materials Data on Sr5(CoO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1285674. https://www.osti.gov/servlets/purl/1285674. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1285674,
title = {Materials Data on Sr5(CoO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5Co4O12 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.78 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.14 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.09 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.13 Å. There are twelve inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.88 Å) and three longer (1.93 Å) Co–O bond length. In the second Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are three shorter (2.02 Å) and three longer (2.06 Å) Co–O bond lengths. In the third Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.89 Å) and three longer (1.97 Å) Co–O bond length. In the fourth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. All Co–O bond lengths are 1.93 Å. In the fifth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.87 Å) and three longer (1.96 Å) Co–O bond length. In the sixth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.87 Å) and three longer (1.96 Å) Co–O bond length. In the seventh Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.88 Å) and three longer (1.91 Å) Co–O bond length. In the eighth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.87 Å) and three longer (1.96 Å) Co–O bond length. In the ninth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. All Co–O bond lengths are 1.98 Å. In the tenth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are three shorter (2.01 Å) and three longer (2.03 Å) Co–O bond lengths. In the eleventh Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.87 Å) and three longer (1.91 Å) Co–O bond length. In the twelfth Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There is three shorter (1.90 Å) and three longer (1.95 Å) Co–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the ninth O2- site, O2- is bonded to four Sr2+ and two Co+3.50+ atoms to form a mixture of distorted face and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the tenth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co+3.50+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Sr2+ and two Co+3.50+ atoms. In the twelfth O2- site, O2- is bonded to four Sr2+ and two Co+3.50+ atoms to form a mixture of distorted face and corner-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1285674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}
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