U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca(CdP)2 by Materials Project
Abstract
CaCd2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form CaP6 octahedra that share corners with twelve equivalent CdP4 tetrahedra, edges with six equivalent CaP6 octahedra, and edges with six equivalent CdP4 tetrahedra. All Ca–P bond lengths are 3.01 Å. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with six equivalent CaP6 octahedra, corners with six equivalent CdP4 tetrahedra, edges with three equivalent CaP6 octahedra, and edges with three equivalent CdP4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.64 Å) and one longer (2.83 Å) Cd–P bond lengths. P3- is bonded to three equivalent Ca2+ and four equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing PCa3Cd4 pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9570
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ca(CdP)2; Ca-Cd-P
- OSTI Identifier:
- 1313341
- DOI:
- https://doi.org/10.17188/1313341
Citation Formats
The Materials Project. Materials Data on Ca(CdP)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313341.
The Materials Project. Materials Data on Ca(CdP)2 by Materials Project. United States. doi:https://doi.org/10.17188/1313341
The Materials Project. 2020.
"Materials Data on Ca(CdP)2 by Materials Project". United States. doi:https://doi.org/10.17188/1313341. https://www.osti.gov/servlets/purl/1313341. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313341,
title = {Materials Data on Ca(CdP)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCd2P2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form CaP6 octahedra that share corners with twelve equivalent CdP4 tetrahedra, edges with six equivalent CaP6 octahedra, and edges with six equivalent CdP4 tetrahedra. All Ca–P bond lengths are 3.01 Å. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with six equivalent CaP6 octahedra, corners with six equivalent CdP4 tetrahedra, edges with three equivalent CaP6 octahedra, and edges with three equivalent CdP4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.64 Å) and one longer (2.83 Å) Cd–P bond lengths. P3- is bonded to three equivalent Ca2+ and four equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing PCa3Cd4 pentagonal bipyramids.},
doi = {10.17188/1313341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}