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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NpCd11 by Materials Project

NpCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Np–Cd bond distances ranging from 3.55–3.86 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to three equivalent Np and six Cd atoms. There are three shorter (2.93 Å) and three longer (2.94 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Np and eight Cd atoms. There are two shorter (2.93 Å) and four longer (3.00 Å) Cd–Cd bond lengths. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one Np and nine Cd atoms. All Cd–Cd bond lengths are 3.13 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Np and nine Cd atoms. There are four shorter (3.00 Å) and four longer (3.13 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Np3Cd by Materials Project

Np3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Cd atoms to form NpNp8Cd4 cuboctahedra that share corners with twelve equivalent NpNp8Cd4 cuboctahedra, edges with eight equivalent CdNp12 cuboctahedra, edges with sixteen NpNp8Cd4 cuboctahedra, faces with four equivalent CdNp12 cuboctahedra, and faces with fourteen NpNp8Cd4 cuboctahedra. There are four shorter (3.22 Å) and four longer (3.26 Å) Np–Np bond lengths. All Np–Cd bond lengths are 3.26 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Cd atoms to form distorted NpNp8Cd4 cuboctahedra that share corners with four equivalent NpNp8Cd4 cuboctahedra, corners with eight equivalent CdNp12 cuboctahedra, edges with twenty-four NpNp8Cd4 cuboctahedra, faces with six equivalent CdNp12 cuboctahedra, and faces with twelve NpNp8Cd4 cuboctahedra. All Np–Cd bond lengths are 3.22 Å. Cd is bonded to twelve Np atoms to form CdNp12 cuboctahedra that share corners with four equivalent CdNp12 cuboctahedra, corners with eight equivalent NpNp8Cd4 cuboctahedra, edges with eight equivalent CdNp12 cuboctahedra, edges with sixteen equivalent NpNp8Cd4 cuboctahedra, faces with four equivalent CdNp12 cuboctahedra, and faces with fourteen NpNp8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗