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Title: Materials Data on CsTaN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1206761· OSTI ID:1206761

CsTaN2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.46 Å) and four longer (3.70 Å) Cs–N bond lengths. Ta5+ is bonded to four equivalent N3- atoms to form corner-sharing TaN4 tetrahedra. All Ta–N bond lengths are 1.95 Å. N3- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Ta5+ 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:
1206761
Report Number(s):
mp-34293
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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