Materials Data on Pr2Tl by Materials Project

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

DOI:https://doi.org/10.17188/1189004· OSTI ID:1189004

The Materials Project

Pr2Tl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to eight Pr and six equivalent Tl atoms. There are two shorter (3.50 Å) and six longer (3.69 Å) Pr–Pr bond lengths. All Pr–Tl bond lengths are 3.69 Å. In the second Pr site, Pr is bonded to six equivalent Pr and five equivalent Tl atoms to form a mixture of distorted corner and face-sharing PrPr6Tl5 trigonal bipyramids. There are three shorter (3.25 Å) and two longer (3.50 Å) Pr–Tl bond lengths. Tl is bonded in a 11-coordinate geometry to eleven 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: 1189004
• Report Number(s): mp-12600
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Pr2Tl
Pr-Tl