Materials Data on CuO2F by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317153· OSTI ID:1317153

The Materials Project

CuO2F crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two CuO2F sheets oriented in the (0, 1, 0) direction. Cu is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Cu–O bond lengths are 1.87 Å. Both Cu–F bond lengths are 1.93 Å. O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.31 Å. F is bonded in a bent 120 degrees geometry to two equivalent Cu 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: 1317153
• Report Number(s): mp-997035
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CuO2F
Cu-F-O