Materials Data on Zr6CoCl15 by Materials Project

Dataset · Tue Jul 21 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1202799· OSTI ID:1202799

The Materials Project

Co(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two cobalt molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.33+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.56 Å) and one longer (2.72 Å) Zr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.33+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.33+ 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: 1202799
• Report Number(s): mp-28734
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Zr6CoCl15
Cl-Co-Zr