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Title: Materials Data on Pr3AlN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195842· OSTI ID:1195842

(Pr3Al)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Pr3Al framework. In the Pr3Al framework, Pr is bonded in a linear geometry to two equivalent Al atoms. Both Pr–Al bond lengths are 2.79 Å. Al is bonded to six equivalent Pr atoms to form corner-sharing AlPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1195842
Report Number(s):
mp-20684
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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