U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2B4Rh5 by Materials Project
Abstract
Ca2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.07–3.25 Å. There are two shorter (3.01 Å) and four longer (3.19 Å) Ca–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.12 Å. B is bonded in a 5-coordinate geometry to three equivalent Ca and five Rh atoms.
- Publication Date:
- Other Number(s):
- mp-8895
- 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-Ca-Rh; Ca2B4Rh5; crystal structure
- OSTI Identifier:
- 1312815
- DOI:
- https://doi.org/10.17188/1312815
Citation Formats
Materials Data on Ca2B4Rh5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312815.
Materials Data on Ca2B4Rh5 by Materials Project. United States. doi:https://doi.org/10.17188/1312815
2020.
"Materials Data on Ca2B4Rh5 by Materials Project". United States. doi:https://doi.org/10.17188/1312815. https://www.osti.gov/servlets/purl/1312815. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1312815,
title = {Materials Data on Ca2B4Rh5 by Materials Project},
abstractNote = {Ca2Rh5B4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to ten Rh and six equivalent B atoms. There are a spread of Ca–Rh bond distances ranging from 3.07–3.25 Å. There are two shorter (3.01 Å) and four longer (3.19 Å) Ca–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.17 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.20 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.12 Å. B is bonded in a 5-coordinate geometry to three equivalent Ca and five Rh atoms.},
doi = {10.17188/1312815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}