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Title: Materials Data on NiC2(SN)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282219· OSTI ID:1282219

NiC2(NS)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NiC2(NS)2 sheet oriented in the (0, 0, 1) direction. Ni2+ is bonded to two equivalent N3- and four equivalent S2- atoms to form distorted edge-sharing NiS4N2 octahedra. Both Ni–N bond lengths are 1.93 Å. All Ni–S bond lengths are 2.53 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a distorted bent 150 degrees geometry to one Ni2+ and one C4+ atom. S2- is bonded in a 3-coordinate geometry to two equivalent Ni2+ and one C4+ atom.

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:
1282219
Report Number(s):
mp-8129
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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