U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGe3Pt by Materials Project
Abstract
BaPtGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pt and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.67 Å) Ba–Pt bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.51 Å. Pt is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.58 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pt, and four equivalent Ge atoms.
- Publication Date:
- Other Number(s):
- mp-22346
- 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-Ge-Pt; BaGe3Pt; crystal structure
- OSTI Identifier:
- 1197576
- DOI:
- https://doi.org/10.17188/1197576
Citation Formats
Materials Data on BaGe3Pt by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197576.
Materials Data on BaGe3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1197576
2020.
"Materials Data on BaGe3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1197576. https://www.osti.gov/servlets/purl/1197576. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197576,
title = {Materials Data on BaGe3Pt by Materials Project},
abstractNote = {BaPtGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pt and twelve Ge atoms. There are four shorter (3.61 Å) and one longer (3.67 Å) Ba–Pt bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.43–3.51 Å. Pt is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are four shorter (2.56 Å) and one longer (2.58 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Pt, and four equivalent Ge atoms.},
doi = {10.17188/1197576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}