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Title: Materials Data on Pr2Te3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1206315· OSTI ID:1206315

Pr2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.41 Å. In the second Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.23–3.45 Å. In the third Pr3+ site, Pr3+ is bonded to eight Te2- atoms to form a mixture of distorted edge, face, and corner-sharing PrTe8 hexagonal bipyramids. There are a spread of Pr–Te bond distances ranging from 3.20–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Pr3+ atoms. In the second Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 square pyramids. In the third Te2- site, Te2- is bonded to five Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing TePr5 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:
1206315
Report Number(s):
mp-32581
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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