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Materials Data on Na3Ce by Materials Project

Na3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Ce atoms to form NaNa8Ce4 cuboctahedra that share corners with twelve equivalent NaNa8Ce4 cuboctahedra, edges with eight equivalent CeNa12 cuboctahedra, edges with sixteen equivalent NaNa8Ce4 cuboctahedra, faces with four equivalent CeNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Ce4 cuboctahedra. All Na–Na bond lengths are 3.73 Å. All Na–Ce bond lengths are 3.73 Å. Ce is bonded to twelve equivalent Na atoms to form CeNa12 cuboctahedra that share corners with twelve equivalent CeNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Ce4 cuboctahedra, faces with six equivalent CeNa12 cuboctahedra, and faces with twelve equivalent NaNa8Ce4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Na3Ce by Materials Project

Na3Ce is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ce atoms. All Na–Na bond lengths are 3.68 Å. All Na–Ce bond lengths are 3.68 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Ce atoms. All Na–Ce bond lengths are 4.25 Å. Ce is bonded in a distorted body-centered cubic geometry to fourteen Na atoms.

36 MATERIALS SCIENCE↗