Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on Nd3Th by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314440· OSTI ID:1314440
ThNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Nd atoms to form ThNd12 cuboctahedra that share corners with four equivalent ThNd12 cuboctahedra, corners with eight equivalent NdNd8Th4 cuboctahedra, edges with eight equivalent ThNd12 cuboctahedra, edges with sixteen equivalent NdNd8Th4 cuboctahedra, faces with four equivalent ThNd12 cuboctahedra, and faces with fourteen NdNd8Th4 cuboctahedra. There are four shorter (3.64 Å) and eight longer (3.66 Å) Th–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Th and eight Nd atoms to form NdNd8Th4 cuboctahedra that share corners with twelve equivalent NdNd8Th4 cuboctahedra, edges with eight equivalent ThNd12 cuboctahedra, edges with sixteen NdNd8Th4 cuboctahedra, faces with four equivalent ThNd12 cuboctahedra, and faces with fourteen NdNd8Th4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to four equivalent Th and eight equivalent Nd atoms to form NdNd8Th4 cuboctahedra that share corners with four equivalent NdNd8Th4 cuboctahedra, corners with eight equivalent ThNd12 cuboctahedra, edges with twenty-four NdNd8Th4 cuboctahedra, faces with six equivalent ThNd12 cuboctahedra, and faces with twelve NdNd8Th4 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:
1314440
Report Number(s):
mp-974068
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on AcTh3 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1727620
Materials Data on NdDy3 by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1314454
Materials Data on Eu3Ti by Materials Project
Dataset · Thu Sep 03 00:00:00 EDT 2020 · OSTI ID:1758226

Related Subjects

36 MATERIALS SCIENCE
Nd-Th
Nd3Th
crystal structure