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Title: Materials Data on LaReN3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316895· OSTI ID:1316895

LaReN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent ReN6 octahedra. All La–N bond lengths are 2.81 Å. Re6+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with six equivalent ReN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–N bond lengths are 1.98 Å. N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Re6+ 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:
1316895
Report Number(s):
mp-989602
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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