Materials Data on Pr3Co by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1309598· OSTI ID:1309598

The Materials Project

Pr3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.79 Å) and one longer (2.94 Å) Pr–Co bond lengths. In the second Pr site, Pr is bonded in a distorted water-like geometry to two equivalent Co atoms. There are one shorter (2.82 Å) and one longer (2.93 Å) Pr–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Pr 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: 1309598
• Report Number(s): mp-862762
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Pr3Co
Co-Pr