U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3Cd2 by Materials Project
Abstract
Ca3Cd2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Ca–Cd bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Ca–Cd bond lengths are 3.55 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Ca–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to eight Ca and two equivalent Cd atoms. There are one shorter (3.14 Å) and one longer (3.16 Å) Cd–Cd bond lengths.
- Publication Date:
- Other Number(s):
- mp-18167
- 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; Ca-Cd; Ca3Cd2; crystal structure
- OSTI Identifier:
- 1192948
- DOI:
- https://doi.org/10.17188/1192948
Citation Formats
Materials Data on Ca3Cd2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192948.
Materials Data on Ca3Cd2 by Materials Project. United States. doi:https://doi.org/10.17188/1192948
2020.
"Materials Data on Ca3Cd2 by Materials Project". United States. doi:https://doi.org/10.17188/1192948. https://www.osti.gov/servlets/purl/1192948. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1192948,
title = {Materials Data on Ca3Cd2 by Materials Project},
abstractNote = {Ca3Cd2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Ca–Cd bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Ca–Cd bond lengths are 3.55 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Ca–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to eight Ca and two equivalent Cd atoms. There are one shorter (3.14 Å) and one longer (3.16 Å) Cd–Cd bond lengths.},
doi = {10.17188/1192948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}