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Title: Materials Data on Pr3Cr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1711921· OSTI ID:1711921

Pr3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Pr and four equivalent Cr atoms to form a mixture of distorted corner, edge, and face-sharing PrPr4Cr4 tetrahedra. All Pr–Pr bond lengths are 3.40 Å. All Pr–Cr bond lengths are 3.40 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to eight equivalent Pr and six equivalent Cr atoms. All Pr–Cr bond lengths are 3.93 Å. Cr is bonded in a distorted body-centered cubic geometry to fourteen Pr 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:
1711921
Report Number(s):
mp-1186703
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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