Materials Data on SmInO3 by Materials Project
Abstract
SmInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent In3+ atoms to form distorted corner-sharing OSm2In2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and two equivalent In3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-752437
- 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; SmInO3; In-O-Sm
- OSTI Identifier:
- 1288590
- DOI:
- https://doi.org/10.17188/1288590
Citation Formats
The Materials Project. Materials Data on SmInO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288590.
The Materials Project. Materials Data on SmInO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288590
The Materials Project. 2020.
"Materials Data on SmInO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288590. https://www.osti.gov/servlets/purl/1288590. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288590,
title = {Materials Data on SmInO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent In3+ atoms to form distorted corner-sharing OSm2In2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and two equivalent In3+ atoms.},
doi = {10.17188/1288590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}