Materials Data on CsSi by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1311576· OSTI ID:1311576

The Materials Project

SiCs crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Si atoms. There are a spread of Cs–Si bond distances ranging from 3.75–4.08 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six equivalent Si atoms. There are a spread of Cs–Si bond distances ranging from 3.81–3.99 Å. Si is bonded in a 10-coordinate geometry to seven Cs and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.44 Å) Si–Si bond lengths.

• 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: 1311576
• Report Number(s): mp-866482
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CsSi
Cs-Si