U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErBiO3 by Materials Project
Abstract
BiErO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form distorted ErO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent ErO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–69°. There are three shorter (2.22 Å) and three longer (2.34 Å) Er–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent ErO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent ErO6 octahedra, and a faceface with one ErO6 octahedra. The corner-sharing octahedra tilt angles range from 56–69°. There are three shorter (2.33 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Er3+ and two equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-754943
- 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; Bi-Er-O; ErBiO3; crystal structure
- OSTI Identifier:
- 1289643
- DOI:
- https://doi.org/10.17188/1289643
Citation Formats
Materials Data on ErBiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289643.
Materials Data on ErBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289643
2020.
"Materials Data on ErBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289643. https://www.osti.gov/servlets/purl/1289643. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1289643,
title = {Materials Data on ErBiO3 by Materials Project},
abstractNote = {BiErO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form distorted ErO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent ErO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–69°. There are three shorter (2.22 Å) and three longer (2.34 Å) Er–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent ErO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent ErO6 octahedra, and a faceface with one ErO6 octahedra. The corner-sharing octahedra tilt angles range from 56–69°. There are three shorter (2.33 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Er3+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1289643},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}