Materials Data on Pm3Tm by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1753334· OSTI ID:1753334

TmPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Pm atoms to form TmPm12 cuboctahedra that share corners with four equivalent TmPm12 cuboctahedra, corners with eight equivalent PmPm8Tm4 cuboctahedra, edges with eight equivalent TmPm12 cuboctahedra, edges with sixteen equivalent PmPm8Tm4 cuboctahedra, faces with four equivalent TmPm12 cuboctahedra, and faces with fourteen PmPm8Tm4 cuboctahedra. There are four shorter (3.61 Å) and eight longer (3.62 Å) Tm–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Tm and eight Pm atoms to form PmPm8Tm4 cuboctahedra that share corners with twelve equivalent PmPm8Tm4 cuboctahedra, edges with eight equivalent TmPm12 cuboctahedra, edges with sixteen PmPm8Tm4 cuboctahedra, faces with four equivalent TmPm12 cuboctahedra, and faces with fourteen PmPm8Tm4 cuboctahedra. There are four shorter (3.61 Å) and four longer (3.62 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Tm and eight equivalent Pm atoms to form PmPm8Tm4 cuboctahedra that share corners with four equivalent PmPm8Tm4 cuboctahedra, corners with eight equivalent TmPm12 cuboctahedra, edges with twenty-four PmPm8Tm4 cuboctahedra, faces with six equivalent TmPm12 cuboctahedra, and faces with twelve PmPm8Tm4 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1753334
• Report Number(s): mp-1186536
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pm-Tm
Pm3Tm
crystal structure