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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsYb3 by Materials Project

CsYb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Yb atoms to form CsYb12 cuboctahedra that share corners with twelve equivalent CsYb12 cuboctahedra, edges with twenty-four equivalent YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and faces with twelve equivalent YbCs4Yb8 cuboctahedra. All Cs–Yb bond lengths are 4.19 Å. Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen equivalent YbCs4Yb8 cuboctahedra. All Yb–Yb bond lengths are 4.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsYb3 by Materials Project

CsYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (4.04 Å) and six longer (4.66 Å) Cs–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Yb atoms. All Yb–Yb bond lengths are 4.04 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Cs and eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsYb3 by Materials Project

CsYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Yb atoms to form CsYb12 cuboctahedra that share corners with four equivalent CsYb12 cuboctahedra, corners with eight equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are eight shorter (4.17 Å) and four longer (4.21 Å) Cs–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Cs and eight Yb atoms to form distorted YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen YbCs4Yb8 cuboctahedra. There are four shorter (4.17 Å) and four longer (4.21 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with four equivalent YbCs4Yb8 cuboctahedra, corners with eight equivalent CsYb12 cuboctahedra, edges with twenty-four YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and faces with twelve YbCs4Yb8 cuboctahedra.

36 MATERIALS SCIENCE↗