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Materials Data on PmHg3 by Materials Project

PmHg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to fourteen Hg atoms. There are eight shorter (3.18 Å) and six longer (3.68 Å) Pm–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Pm and four equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing HgPm4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.18 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to six equivalent Pm and eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pm3Hg by Materials Project

Pm3Hg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded in a distorted see-saw-like geometry to four equivalent Hg atoms. There are two shorter (3.38 Å) and two longer (3.54 Å) Pm–Hg bond lengths. Hg is bonded to twelve equivalent Pm atoms to form a mixture of corner and face-sharing HgPm12 cuboctahedra.

36 MATERIALS SCIENCE↗