Materials Data on Ni(I5N3)2 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1707442· OSTI ID:1707442

NiN2(IN2)2(I)8 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; two nickel molecules; four IN2 clusters; and two I ribbons oriented in the (0, 1, 0) direction. In each IN2 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 1.97 Å. I1- is bonded in an L-shaped geometry to two N1+ atoms. In each I ribbon, there are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a water-like geometry to two I1- atoms. The I–I bond length is 2.94 Å. In the third I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 2.95 Å. In the fourth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to two I1- atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1707442
• Report Number(s): mp-1211426
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
I-N-Ni
Ni(I5N3)2
crystal structure