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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PmCd3 by Materials Project

PmCd3 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 Cd atoms. There are eight shorter (3.16 Å) and six longer (3.65 Å) Pm–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted body-centered cubic geometry to four equivalent Pm and four equivalent Cd atoms. All Cd–Cd bond lengths are 3.16 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Pm and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmCd3 by Materials Project

PmCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to twelve Cd atoms to form a mixture of face and corner-sharing PmCd12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.38 Å) Pm–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.15–3.49 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.15–3.49 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms.

36 MATERIALS SCIENCE↗