Materials Data on La2CeTe4 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1707557· OSTI ID:1707557

CeLa2Te4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ce3+ is bonded to eight equivalent Te2- atoms to form distorted CeTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent CeTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.25 Å) and four longer (3.39 Å) Ce–Te bond lengths. La+2.50+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent CeTe8 hexagonal bipyramids, corners with four equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent CeTe8 hexagonal bipyramids, and faces with four equivalent LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.26–3.42 Å. Te2- is bonded to two equivalent Ce3+ and four equivalent La+2.50+ atoms to form a mixture of distorted face, edge, and corner-sharing TeLa4Ce2 octahedra. The corner-sharing octahedra tilt angles range from 16–50°.

• 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: 1707557
• Report Number(s): mp-1226163
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-La-Te
La2CeTe4
crystal structure