Materials Data on GaCuCl4 by Materials Project

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

DOI:https://doi.org/10.17188/1203711· OSTI ID:1203711

The Materials Project

CuGaCl4 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form CuCl4 tetrahedra that share corners with four equivalent GaCl4 tetrahedra. All Cu–Cl bond lengths are 2.34 Å. Ga3+ is bonded to four equivalent Cl1- atoms to form GaCl4 tetrahedra that share corners with four equivalent CuCl4 tetrahedra. All Ga–Cl bond lengths are 2.22 Å. Cl1- is bonded in a water-like geometry to one Cu1+ and one Ga3+ atom.

• 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: 1203711
• Report Number(s): mp-29362
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
GaCuCl4
Cl-Cu-Ga