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Title: Materials Data on NiSe2 by Materials Project

Abstract

NiSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Ni4+ atoms.

Publication Date:
Other Number(s):
mp-1071078
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; NiSe2; Ni-Se
OSTI Identifier:
1666956
DOI:
https://doi.org/10.17188/1666956

Citation Formats

The Materials Project. Materials Data on NiSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666956.
The Materials Project. Materials Data on NiSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1666956
The Materials Project. 2020. "Materials Data on NiSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1666956. https://www.osti.gov/servlets/purl/1666956. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1666956,
title = {Materials Data on NiSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form a mixture of edge and corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Ni4+ atoms.},
doi = {10.17188/1666956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}