Materials Data on CO3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317021· OSTI ID:1317021

The Materials Project

CO3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one methane molecule and one O2 sheet oriented in the (0, 0, 1) direction. In the O2 sheet, there are two inequivalent O sites. In the first O site, O is bonded in a square co-planar geometry to four equivalent O atoms. All O–O bond lengths are 1.77 Å. In the second O site, O is bonded in a distorted linear geometry to two equivalent O 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: 1317021
• Report Number(s): mp-995196
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CO3
C-O