Materials Data on Sr4Cu3ClO6 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1750446· OSTI ID:1750446

The Materials Project

Sr4Cu3O6Cl crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- and two equivalent Cl1- atoms to form a mixture of corner and face-sharing SrCl2O6 hexagonal bipyramids. All Sr–O bond lengths are 2.72 Å. Both Sr–Cl bond lengths are 3.34 Å. Cu+1.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Cu+1.67+ atoms to form a mixture of distorted corner and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Sr2+ 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: 1750446
• Report Number(s): mp-1147678
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Sr4Cu3ClO6
Cl-Cu-O-Sr