Materials Data on LiCd3 by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314365· OSTI ID:1314365

The Materials Project

LiCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (2.99 Å) and six longer (3.45 Å) Li–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Li and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdLi4Cd4 tetrahedra. All Cd–Cd bond lengths are 2.99 Å. In the second Cd site, Cd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Cd atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1314365
• Report Number(s): mp-973940
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LiCd3
Cd-Li