Materials Data on Nd3Cd by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1677001· OSTI ID:1677001

Nd3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with twelve equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, and faces with fourteen NdNd8Cd4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Nd–Nd bond lengths. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Cd atoms to form distorted NdNd8Cd4 cuboctahedra that share corners with four equivalent NdNd8Cd4 cuboctahedra, corners with eight equivalent CdNd12 cuboctahedra, edges with twenty-four NdNd8Cd4 cuboctahedra, faces with six equivalent CdNd12 cuboctahedra, and faces with twelve NdNd8Cd4 cuboctahedra. All Nd–Cd bond lengths are 3.50 Å. Cd is bonded to twelve Nd atoms to form CdNd12 cuboctahedra that share corners with four equivalent CdNd12 cuboctahedra, corners with eight equivalent NdNd8Cd4 cuboctahedra, edges with eight equivalent CdNd12 cuboctahedra, edges with sixteen equivalent NdNd8Cd4 cuboctahedra, faces with four equivalent CdNd12 cuboctahedra, and faces with fourteen NdNd8Cd4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1677001
• Report Number(s): mp-1186263
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cd-Nd
Nd3Cd
crystal structure