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Materials Data on Pm3Gd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1718306· OSTI ID:1718306
GdPm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded to twelve Pm atoms to form GdPm12 cuboctahedra that share corners with four equivalent GdPm12 cuboctahedra, corners with eight equivalent PmPm8Gd4 cuboctahedra, edges with eight equivalent GdPm12 cuboctahedra, edges with sixteen equivalent PmPm8Gd4 cuboctahedra, faces with four equivalent GdPm12 cuboctahedra, and faces with fourteen PmPm8Gd4 cuboctahedra. There are four shorter (3.64 Å) and eight longer (3.65 Å) Gd–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Gd and eight Pm atoms to form PmPm8Gd4 cuboctahedra that share corners with twelve equivalent PmPm8Gd4 cuboctahedra, edges with eight equivalent GdPm12 cuboctahedra, edges with sixteen PmPm8Gd4 cuboctahedra, faces with four equivalent GdPm12 cuboctahedra, and faces with fourteen PmPm8Gd4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.65 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Gd and eight equivalent Pm atoms to form PmPm8Gd4 cuboctahedra that share corners with four equivalent PmPm8Gd4 cuboctahedra, corners with eight equivalent GdPm12 cuboctahedra, edges with twenty-four PmPm8Gd4 cuboctahedra, faces with six equivalent GdPm12 cuboctahedra, and faces with twelve PmPm8Gd4 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:
1718306
Report Number(s):
mp-1186564
Country of Publication:
United States
Language:
English

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