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Title: Materials Data on NbPSe by Materials Project

Abstract

NbPSe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent Se2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Nb–Se bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.27 Å) and one longer (2.59 Å) P–P bond lengths. Se2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted corner and edge-sharing SeNb4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-7524
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NbPSe; Nb-P-Se
OSTI Identifier:
1288531
DOI:
https://doi.org/10.17188/1288531

Citation Formats

The Materials Project. Materials Data on NbPSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288531.
The Materials Project. Materials Data on NbPSe by Materials Project. United States. doi:https://doi.org/10.17188/1288531
The Materials Project. 2020. "Materials Data on NbPSe by Materials Project". United States. doi:https://doi.org/10.17188/1288531. https://www.osti.gov/servlets/purl/1288531. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1288531,
title = {Materials Data on NbPSe by Materials Project},
author = {The Materials Project},
abstractNote = {NbPSe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent Se2- atoms. All Nb–P bond lengths are 2.61 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Nb–Se bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Nb5+ and two equivalent P3- atoms. There are one shorter (2.27 Å) and one longer (2.59 Å) P–P bond lengths. Se2- is bonded to four equivalent Nb5+ atoms to form a mixture of distorted corner and edge-sharing SeNb4 tetrahedra.},
doi = {10.17188/1288531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}