U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScBiO3 by Materials Project
Abstract
BiScO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. In the fourth Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-756205
- 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; ScBiO3; Bi-O-Sc
- OSTI Identifier:
- 1290444
- DOI:
- https://doi.org/10.17188/1290444
Citation Formats
The Materials Project. Materials Data on ScBiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290444.
The Materials Project. Materials Data on ScBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290444
The Materials Project. 2020.
"Materials Data on ScBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290444. https://www.osti.gov/servlets/purl/1290444. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1290444,
title = {Materials Data on ScBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiScO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (2.14 Å) and four longer (2.15 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. In the fourth Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are four shorter (2.14 Å) and two longer (2.15 Å) Sc–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.87 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.85 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sc3+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sc3+ and two Bi3+ atoms.},
doi = {10.17188/1290444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}