DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-18167
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; Ca3Cd2; Ca-Cd
OSTI Identifier:
1192948
DOI:
https://doi.org/10.17188/1192948

Citation Formats

The Materials Project. Materials Data on Ca3Cd2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192948.
The Materials Project. Materials Data on Ca3Cd2 by Materials Project. United States. doi:https://doi.org/10.17188/1192948
The Materials Project. 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},
author = {The 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}
}