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Title: Materials Data on Ce2Te3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1206416· OSTI ID:1206416

Ce2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to eight Te2- atoms to form a mixture of distorted corner, edge, and face-sharing CeTe8 hexagonal bipyramids. There are a spread of Ce–Te bond distances ranging from 3.18–3.43 Å. In the second Ce3+ site, Ce3+ is bonded to eight Te2- atoms to form a mixture of distorted corner, edge, and face-sharing CeTe8 hexagonal bipyramids. There are a spread of Ce–Te bond distances ranging from 3.19–3.38 Å. In the third Ce3+ site, Ce3+ is bonded to eight Te2- atoms to form a mixture of distorted corner, edge, and face-sharing CeTe8 hexagonal bipyramids. There are a spread of Ce–Te bond distances ranging from 3.20–3.40 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the second Te2- site, Te2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing TeCe5 square pyramids. In the third Te2- site, Te2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing TeCe5 square pyramids.

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:
1206416
Report Number(s):
mp-32838
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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