U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCd3 by Materials Project
Abstract
NaCd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with six equivalent NaCd12 cuboctahedra, corners with twelve equivalent CdNa4Cd8 cuboctahedra, edges with eighteen CdNa4Cd8 cuboctahedra, faces with eight equivalent NaCd12 cuboctahedra, and faces with twelve CdNa4Cd8 cuboctahedra. All Na–Cd bond lengths are 3.24 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and eight Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra. There are six shorter (3.22 Å) and two longer (3.26 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve equivalent CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteenmore »
- Publication Date:
- Other Number(s):
- mp-973166
- 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; Cd-Na; NaCd3; crystal structure
- OSTI Identifier:
- 1314031
- DOI:
- https://doi.org/10.17188/1314031
Citation Formats
Materials Data on NaCd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314031.
Materials Data on NaCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1314031
2020.
"Materials Data on NaCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1314031. https://www.osti.gov/servlets/purl/1314031. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1314031,
title = {Materials Data on NaCd3 by Materials Project},
abstractNote = {NaCd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve Cd atoms to form NaCd12 cuboctahedra that share corners with six equivalent NaCd12 cuboctahedra, corners with twelve equivalent CdNa4Cd8 cuboctahedra, edges with eighteen CdNa4Cd8 cuboctahedra, faces with eight equivalent NaCd12 cuboctahedra, and faces with twelve CdNa4Cd8 cuboctahedra. All Na–Cd bond lengths are 3.24 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and eight Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra. There are six shorter (3.22 Å) and two longer (3.26 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to four equivalent Na and eight equivalent Cd atoms to form distorted CdNa4Cd8 cuboctahedra that share corners with four equivalent NaCd12 cuboctahedra, corners with fourteen CdNa4Cd8 cuboctahedra, edges with six equivalent NaCd12 cuboctahedra, edges with twelve equivalent CdNa4Cd8 cuboctahedra, faces with four equivalent NaCd12 cuboctahedra, and faces with sixteen CdNa4Cd8 cuboctahedra.},
doi = {10.17188/1314031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}