U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba3Er by Materials Project
Abstract
Ba3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Er atoms to form distorted BaBa8Er4 cuboctahedra that share corners with four equivalent ErBa12 cuboctahedra, corners with fourteen equivalent BaBa8Er4 cuboctahedra, edges with six equivalent ErBa12 cuboctahedra, edges with twelve equivalent BaBa8Er4 cuboctahedra, faces with four equivalent ErBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Er4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.07–4.35 Å. There are two shorter (4.10 Å) and two longer (4.21 Å) Ba–Er bond lengths. Er is bonded to twelve equivalent Ba atoms to form ErBa12 cuboctahedra that share corners with six equivalent ErBa12 cuboctahedra, corners with twelve equivalent BaBa8Er4 cuboctahedra, edges with eighteen equivalent BaBa8Er4 cuboctahedra, faces with eight equivalent ErBa12 cuboctahedra, and faces with twelve equivalent BaBa8Er4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1183359
- 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; Ba-Er; Ba3Er; crystal structure
- OSTI Identifier:
- 1677957
- DOI:
- https://doi.org/10.17188/1677957
Citation Formats
Materials Data on Ba3Er by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677957.
Materials Data on Ba3Er by Materials Project. United States. doi:https://doi.org/10.17188/1677957
2020.
"Materials Data on Ba3Er by Materials Project". United States. doi:https://doi.org/10.17188/1677957. https://www.osti.gov/servlets/purl/1677957. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677957,
title = {Materials Data on Ba3Er by Materials Project},
abstractNote = {Ba3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Er atoms to form distorted BaBa8Er4 cuboctahedra that share corners with four equivalent ErBa12 cuboctahedra, corners with fourteen equivalent BaBa8Er4 cuboctahedra, edges with six equivalent ErBa12 cuboctahedra, edges with twelve equivalent BaBa8Er4 cuboctahedra, faces with four equivalent ErBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Er4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.07–4.35 Å. There are two shorter (4.10 Å) and two longer (4.21 Å) Ba–Er bond lengths. Er is bonded to twelve equivalent Ba atoms to form ErBa12 cuboctahedra that share corners with six equivalent ErBa12 cuboctahedra, corners with twelve equivalent BaBa8Er4 cuboctahedra, edges with eighteen equivalent BaBa8Er4 cuboctahedra, faces with eight equivalent ErBa12 cuboctahedra, and faces with twelve equivalent BaBa8Er4 cuboctahedra.},
doi = {10.17188/1677957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}