U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeBPt4 by Materials Project
Abstract
CePt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Ce–Pt bond lengths are 3.15 Å. All Ce–B bond lengths are 3.16 Å. In the second Ce3+ site, Ce3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Ce–Pt bond lengths are 3.16 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Ce3+ and nine Pt atoms. There are six shorter (2.81 Å) and three longer (3.16 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in a distorted L-shaped geometry to two equivalent Ce3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.21 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce3+ and six equivalent Pt atoms.
- Publication Date:
- Other Number(s):
- mp-20051
- 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; B-Ce-Pt; CeBPt4; crystal structure
- OSTI Identifier:
- 1195215
- DOI:
- https://doi.org/10.17188/1195215
Citation Formats
Materials Data on CeBPt4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195215.
Materials Data on CeBPt4 by Materials Project. United States. doi:https://doi.org/10.17188/1195215
2020.
"Materials Data on CeBPt4 by Materials Project". United States. doi:https://doi.org/10.17188/1195215. https://www.osti.gov/servlets/purl/1195215. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195215,
title = {Materials Data on CeBPt4 by Materials Project},
abstractNote = {CePt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Ce–Pt bond lengths are 3.15 Å. All Ce–B bond lengths are 3.16 Å. In the second Ce3+ site, Ce3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Ce–Pt bond lengths are 3.16 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Ce3+ and nine Pt atoms. There are six shorter (2.81 Å) and three longer (3.16 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in a distorted L-shaped geometry to two equivalent Ce3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.21 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce3+ and six equivalent Pt atoms.},
doi = {10.17188/1195215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}