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Title: Materials Data on PrAsSe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1655668· OSTI ID:1655668

PrAsSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Se2- atoms. There are a spread of Pr–As bond distances ranging from 3.16–3.31 Å. There are a spread of Pr–Se bond distances ranging from 2.99–3.17 Å. As1- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent As1- atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) As–As bond lengths. Se2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ atoms.

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:
1655668
Report Number(s):
mp-1209547
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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