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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce4Sb3 by Materials Project

Ce4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded to six equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing CeSb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (3.16 Å) and three longer (3.38 Å) Ce–Sb bond lengths. Sb is bonded to eight equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing SbCe8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSb by Materials Project

CeSb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Ce–Sb bond lengths are 3.34 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Sb by Materials Project

Ce2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing CeSb5 square pyramids. There are four shorter (3.21 Å) and one longer (3.24 Å) Ce–Sb bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Ce–Sb bond lengths are 3.28 Å. Sb is bonded in a 9-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSb by Materials Project

CeSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Sb bond lengths are 3.19 Å. Sb3- is bonded to six equivalent Ce3+ atoms to form a mixture of corner and edge-sharing SbCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSb3 by Materials Project

CeSb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of corner and face-sharing CeSb12 cuboctahedra. All Ce–Sb bond lengths are 3.37 Å. Sb1- is bonded in a distorted square co-planar geometry to four equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗