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Title: Materials Data on Nb3(BiS3)2 by Materials Project

Abstract

Nb3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.49 Å) Nb–S bond lengths. Bi3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.83 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb2+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb2+ atoms.

Publication Date:
Other Number(s):
mp-28868
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; Nb3(BiS3)2; Bi-Nb-S
OSTI Identifier:
1202948
DOI:
https://doi.org/10.17188/1202948

Citation Formats

The Materials Project. Materials Data on Nb3(BiS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202948.
The Materials Project. Materials Data on Nb3(BiS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202948
The Materials Project. 2020. "Materials Data on Nb3(BiS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202948. https://www.osti.gov/servlets/purl/1202948. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1202948,
title = {Materials Data on Nb3(BiS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.49 Å) Nb–S bond lengths. Bi3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.83 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb2+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb2+ atoms.},
doi = {10.17188/1202948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}