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

Abstract

Ni(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Ni(OCl)2 ribbons oriented in the (0, 1, 0) direction. Ni is bonded to two equivalent O and four Cl atoms to form distorted edge-sharing NiCl4O2 octahedra. Both Ni–O bond lengths are 1.78 Å. There are two shorter (2.31 Å) and two longer (2.38 Å) Ni–Cl bond lengths. O is bonded in a single-bond geometry to one Ni atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Ni atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1079563
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ni(ClO)2; Cl-Ni-O
OSTI Identifier:
1680146
DOI:
https://doi.org/10.17188/1680146

Citation Formats

The Materials Project. Materials Data on Ni(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680146.
The Materials Project. Materials Data on Ni(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680146
The Materials Project. 2020. "Materials Data on Ni(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680146. https://www.osti.gov/servlets/purl/1680146. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1680146,
title = {Materials Data on Ni(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(OCl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Ni(OCl)2 ribbons oriented in the (0, 1, 0) direction. Ni is bonded to two equivalent O and four Cl atoms to form distorted edge-sharing NiCl4O2 octahedra. Both Ni–O bond lengths are 1.78 Å. There are two shorter (2.31 Å) and two longer (2.38 Å) Ni–Cl bond lengths. O is bonded in a single-bond geometry to one Ni atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Ni atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Ni atoms.},
doi = {10.17188/1680146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}