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Title: Materials Data on Ni(HO)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1278292· OSTI ID:1278292

Ni(OH)2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Ni(OH)2 sheet oriented in the (0, 0, 1) direction. Ni2+ is bonded in a distorted q6 geometry to three equivalent H1+ and six O2- atoms. All Ni–H bond lengths are 1.93 Å. There are three shorter (2.12 Å) and three longer (2.16 Å) Ni–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to three equivalent Ni2+ and one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Ni2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Ni2+ and one H1+ 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:
1278292
Report Number(s):
mp-625072
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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