U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrNd(CoO3)2 by Materials Project
Abstract
SrNd(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.00 Å. Nd3+ is bonded in a 12-coordinate geometry to five O2- atoms. There are one shorter (2.42 Å) and four longer (2.48 Å) Nd–O bond lengths. Co+3.50+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–22°. There are a spread of Co–O bond distances ranging from 1.93–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and two equivalent Co+3.50+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Nd3+, and two equivalent Co+3.50+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Nd3+, and two equivalent Co+3.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218211
- 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; SrNd(CoO3)2; Co-Nd-O-Sr
- OSTI Identifier:
- 1685480
- DOI:
- https://doi.org/10.17188/1685480
Citation Formats
The Materials Project. Materials Data on SrNd(CoO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685480.
The Materials Project. Materials Data on SrNd(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685480
The Materials Project. 2020.
"Materials Data on SrNd(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685480. https://www.osti.gov/servlets/purl/1685480. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685480,
title = {Materials Data on SrNd(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNd(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–3.00 Å. Nd3+ is bonded in a 12-coordinate geometry to five O2- atoms. There are one shorter (2.42 Å) and four longer (2.48 Å) Nd–O bond lengths. Co+3.50+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–22°. There are a spread of Co–O bond distances ranging from 1.93–1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and two equivalent Co+3.50+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one Nd3+, and two equivalent Co+3.50+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Nd3+, and two equivalent Co+3.50+ atoms.},
doi = {10.17188/1685480},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}