U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCdAs by Materials Project
Abstract
KCdAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded to five equivalent As3- atoms to form distorted KAs5 trigonal bipyramids that share corners with twelve equivalent CdAs4 tetrahedra, corners with four equivalent KAs5 trigonal bipyramids, edges with four equivalent CdAs4 tetrahedra, and edges with eight equivalent KAs5 trigonal bipyramids. There are four shorter (3.47 Å) and one longer (3.56 Å) K–As bond lengths. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with twelve equivalent KAs5 trigonal bipyramids, edges with four equivalent CdAs4 tetrahedra, and edges with four equivalent KAs5 trigonal bipyramids. All Cd–As bond lengths are 2.85 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1018736
- 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; As-Cd-K; KCdAs; crystal structure
- OSTI Identifier:
- 1350449
- DOI:
- https://doi.org/10.17188/1350449
Citation Formats
Materials Data on KCdAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350449.
Materials Data on KCdAs by Materials Project. United States. doi:https://doi.org/10.17188/1350449
2020.
"Materials Data on KCdAs by Materials Project". United States. doi:https://doi.org/10.17188/1350449. https://www.osti.gov/servlets/purl/1350449. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1350449,
title = {Materials Data on KCdAs by Materials Project},
abstractNote = {KCdAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded to five equivalent As3- atoms to form distorted KAs5 trigonal bipyramids that share corners with twelve equivalent CdAs4 tetrahedra, corners with four equivalent KAs5 trigonal bipyramids, edges with four equivalent CdAs4 tetrahedra, and edges with eight equivalent KAs5 trigonal bipyramids. There are four shorter (3.47 Å) and one longer (3.56 Å) K–As bond lengths. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with twelve equivalent KAs5 trigonal bipyramids, edges with four equivalent CdAs4 tetrahedra, and edges with four equivalent KAs5 trigonal bipyramids. All Cd–As bond lengths are 2.85 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Cd2+ atoms.},
doi = {10.17188/1350449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}