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Title: Materials Data on Cs3MoC6(SN2)3 by Materials Project

Abstract

(Cs)3MoC6(N2S)3 crystallizes in the hexagonal P-6m2 space group. The structure is one-dimensional and consists of three cesium molecules and one MoC6(N2S)3 ribbon oriented in the (0, 0, 1) direction. In the MoC6(N2S)3 ribbon, Mo5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent N3- atoms. All Mo–N bond lengths are 2.07 Å. C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.84 Å. N3- is bonded in a linear geometry to one Mo5+ and one C+2.67+ atom. S2- is bonded in a distorted bent 150 degrees geometry to two equivalent C+2.67+ atoms.

Publication Date:
Other Number(s):
mp-677061
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; Cs3MoC6(SN2)3; C-Cs-Mo-N-S
OSTI Identifier:
1283246
DOI:
https://doi.org/10.17188/1283246

Citation Formats

The Materials Project. Materials Data on Cs3MoC6(SN2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283246.
The Materials Project. Materials Data on Cs3MoC6(SN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1283246
The Materials Project. 2020. "Materials Data on Cs3MoC6(SN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1283246. https://www.osti.gov/servlets/purl/1283246. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1283246,
title = {Materials Data on Cs3MoC6(SN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs)3MoC6(N2S)3 crystallizes in the hexagonal P-6m2 space group. The structure is one-dimensional and consists of three cesium molecules and one MoC6(N2S)3 ribbon oriented in the (0, 0, 1) direction. In the MoC6(N2S)3 ribbon, Mo5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent N3- atoms. All Mo–N bond lengths are 2.07 Å. C+2.67+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.21 Å. The C–S bond length is 1.84 Å. N3- is bonded in a linear geometry to one Mo5+ and one C+2.67+ atom. S2- is bonded in a distorted bent 150 degrees geometry to two equivalent C+2.67+ atoms.},
doi = {10.17188/1283246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}