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Title: Materials Data on NiSO9 by Materials Project

Abstract

NiSO9 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one NiSO9 ribbon oriented in the (0, 1, 0) direction. Ni is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Ni–O bond distances ranging from 1.94–2.18 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.48–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ni, one S, and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom. The O–O bond length is 1.29 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a water-like geometry to two O atoms. The O–Omore » bond length is 1.77 Å. In the sixth O site, O is bonded in a water-like geometry to two O atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one S and one O atom. The O–O bond length is 1.48 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Ni and one O atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ni and one O atom.« less

Publication Date:
Other Number(s):
mp-1180125
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; NiSO9; Ni-O-S
OSTI Identifier:
1747064
DOI:
https://doi.org/10.17188/1747064

Citation Formats

The Materials Project. Materials Data on NiSO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747064.
The Materials Project. Materials Data on NiSO9 by Materials Project. United States. doi:https://doi.org/10.17188/1747064
The Materials Project. 2020. "Materials Data on NiSO9 by Materials Project". United States. doi:https://doi.org/10.17188/1747064. https://www.osti.gov/servlets/purl/1747064. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747064,
title = {Materials Data on NiSO9 by Materials Project},
author = {The Materials Project},
abstractNote = {NiSO9 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one NiSO9 ribbon oriented in the (0, 1, 0) direction. Ni is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Ni–O bond distances ranging from 1.94–2.18 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.48–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ni, one S, and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom. The O–O bond length is 1.29 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.77 Å. In the sixth O site, O is bonded in a water-like geometry to two O atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one S and one O atom. The O–O bond length is 1.48 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Ni and one O atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ni and one O atom.},
doi = {10.17188/1747064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}