U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaCd3 by Materials Project
Abstract
BaCd3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve Cd atoms to form a mixture of distorted corner and face-sharing BaCd12 cuboctahedra. There are a spread of Ba–Cd bond distances ranging from 3.63–3.81 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.23 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are one shorter (3.12 Å) and two longer (3.23 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms.
- Publication Date:
- Other Number(s):
- mp-1183366
- 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-Cd; BaCd3; crystal structure
- OSTI Identifier:
- 1738738
- DOI:
- https://doi.org/10.17188/1738738
Citation Formats
Materials Data on BaCd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738738.
Materials Data on BaCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1738738
2020.
"Materials Data on BaCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1738738. https://www.osti.gov/servlets/purl/1738738. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738738,
title = {Materials Data on BaCd3 by Materials Project},
abstractNote = {BaCd3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba is bonded to twelve Cd atoms to form a mixture of distorted corner and face-sharing BaCd12 cuboctahedra. There are a spread of Ba–Cd bond distances ranging from 3.63–3.81 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.14–3.23 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms. There are one shorter (3.12 Å) and two longer (3.23 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a 10-coordinate geometry to four equivalent Ba and six Cd atoms.},
doi = {10.17188/1738738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}