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Materials Data on Pm3Er by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1695389· OSTI ID:1695389
ErPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Pm atoms to form ErPm12 cuboctahedra that share corners with four equivalent ErPm12 cuboctahedra, corners with eight equivalent PmPm8Er4 cuboctahedra, edges with eight equivalent ErPm12 cuboctahedra, edges with sixteen equivalent PmPm8Er4 cuboctahedra, faces with four equivalent ErPm12 cuboctahedra, and faces with fourteen PmPm8Er4 cuboctahedra. There are four shorter (3.61 Å) and eight longer (3.63 Å) Er–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Er and eight Pm atoms to form PmPm8Er4 cuboctahedra that share corners with twelve equivalent PmPm8Er4 cuboctahedra, edges with eight equivalent ErPm12 cuboctahedra, edges with sixteen PmPm8Er4 cuboctahedra, faces with four equivalent ErPm12 cuboctahedra, and faces with fourteen PmPm8Er4 cuboctahedra. There are four shorter (3.61 Å) and four longer (3.63 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Er and eight equivalent Pm atoms to form PmPm8Er4 cuboctahedra that share corners with four equivalent PmPm8Er4 cuboctahedra, corners with eight equivalent ErPm12 cuboctahedra, edges with twenty-four PmPm8Er4 cuboctahedra, faces with six equivalent ErPm12 cuboctahedra, and faces with twelve PmPm8Er4 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:
1695389
Report Number(s):
mp-1186502
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Er-Pm
Pm3Er
crystal structure