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Title: Materials Data on SrCeN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187613· OSTI ID:1187613

SrCeN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Sr–N bond lengths are 2.75 Å. Ce4+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ce–N bond lengths are 2.45 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Ce4+ atoms to form a mixture of corner and edge-sharing NSr3Ce3 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:
1187613
Report Number(s):
mp-11178
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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