Materials Data on Cs3MoC6(SN2)3 by Materials Project

Dataset · Thu Apr 30 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1283246· OSTI ID:1283246

The Materials Project

(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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1283246
• Report Number(s): mp-677061
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cs3MoC6(SN2)3
C-Cs-Mo-N-S