Materials Data on PbClF by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199120· OSTI ID:1199120

The Materials Project

PbFCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. There are four shorter (3.12 Å) and one longer (3.25 Å) Pb–Cl bond lengths. All Pb–F bond lengths are 2.57 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Pb2+ and four equivalent F1- atoms. All Cl–F bond lengths are 3.31 Å. F1- is bonded to four equivalent Pb2+ and four equivalent Cl1- atoms to form a mixture of face and edge-sharing FPb4Cl4 tetrahedra.

• 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: 1199120
• Report Number(s): mp-22964
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PbClF
Cl-F-Pb