U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3Rh2O7 by Materials Project
Abstract
Sr3Rh2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.77 Å) Sr–O bond lengths. Rh4+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are a spread of Rh–O bond distances ranging from 2.01–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Rh4+ atom to form OSr5Rh octahedra that share corners with five OSr4Rh2 octahedra and edges with eight equivalent OSr5Rh octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Rh4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Rh4+ atoms to form a mixture of distorted cornermore »
- Publication Date:
- Other Number(s):
- mp-753070
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-Rh-Sr; Sr3Rh2O7; crystal structure
- OSTI Identifier:
- 1288896
- DOI:
- https://doi.org/10.17188/1288896
Citation Formats
Materials Data on Sr3Rh2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288896.
Materials Data on Sr3Rh2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1288896
2020.
"Materials Data on Sr3Rh2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1288896. https://www.osti.gov/servlets/purl/1288896. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288896,
title = {Materials Data on Sr3Rh2O7 by Materials Project},
abstractNote = {Sr3Rh2O7 crystallizes in the orthorhombic Ccce space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.77 Å) Sr–O bond lengths. Rh4+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are a spread of Rh–O bond distances ranging from 2.01–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Rh4+ atom to form OSr5Rh octahedra that share corners with five OSr4Rh2 octahedra and edges with eight equivalent OSr5Rh octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Rh4+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Rh4+ atoms to form a mixture of distorted corner and edge-sharing OSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1288896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}