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DOE OSTI2020

Materials Data on YbPm3 by Materials Project

YbPm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Pm atoms to form YbPm12 cuboctahedra that share corners with six equivalent YbPm12 cuboctahedra, corners with twelve equivalent PmYb4Pm8 cuboctahedra, edges with eighteen equivalent PmYb4Pm8 cuboctahedra, faces with eight equivalent YbPm12 cuboctahedra, and faces with twelve equivalent PmYb4Pm8 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.70 Å) Yb–Pm bond lengths. Pm is bonded to four equivalent Yb and eight equivalent Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with four equivalent YbPm12 cuboctahedra, corners with fourteen equivalent PmYb4Pm8 cuboctahedra, edges with six equivalent YbPm12 cuboctahedra, edges with twelve equivalent PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with sixteen equivalent PmYb4Pm8 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.64–3.75 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbPm3 by Materials Project

YbPm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Pm atoms to form YbPm12 cuboctahedra that share corners with four equivalent YbPm12 cuboctahedra, corners with eight equivalent PmYb4Pm8 cuboctahedra, edges with eight equivalent YbPm12 cuboctahedra, edges with sixteen equivalent PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with fourteen PmYb4Pm8 cuboctahedra. All Yb–Pm bond lengths are 3.67 Å. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Yb and eight Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with twelve equivalent PmYb4Pm8 cuboctahedra, edges with eight equivalent YbPm12 cuboctahedra, edges with sixteen PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with fourteen PmYb4Pm8 cuboctahedra. All Pm–Pm bond lengths are 3.67 Å. In the second Pm site, Pm is bonded to four equivalent Yb and eight equivalent Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with four equivalent PmYb4Pm8 cuboctahedra, corners with eight equivalent YbPm12 cuboctahedra, edges with twenty-four PmYb4Pm8 cuboctahedra, faces with six equivalent YbPm12 cuboctahedra, and faces with twelve PmYb4Pm8 cuboctahedra.

36 MATERIALS SCIENCE↗