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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pa3Sb4 by Materials Project

Pa3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pa4+ is bonded to eight equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing PaSb8 hexagonal bipyramids. There are four shorter (3.14 Å) and four longer (3.21 Å) Pa–Sb bond lengths. Sb3- is bonded to six equivalent Pa4+ atoms to form a mixture of distorted corner, edge, and face-sharing SbPa6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3Sb by Materials Project

Pa3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Sb atoms to form distorted PaPa8Sb4 cuboctahedra that share corners with twelve equivalent PaPa8Sb4 cuboctahedra, edges with eight equivalent SbPa12 cuboctahedra, edges with sixteen equivalent PaPa8Sb4 cuboctahedra, faces with four equivalent SbPa12 cuboctahedra, and faces with fourteen equivalent PaPa8Sb4 cuboctahedra. All Pa–Pa bond lengths are 3.25 Å. All Pa–Sb bond lengths are 3.25 Å. Sb is bonded to twelve equivalent Pa atoms to form SbPa12 cuboctahedra that share corners with twelve equivalent SbPa12 cuboctahedra, edges with twenty-four equivalent PaPa8Sb4 cuboctahedra, faces with six equivalent SbPa12 cuboctahedra, and faces with twelve equivalent PaPa8Sb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaSb2 by Materials Project

PaSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pa5+ is bonded in a 9-coordinate geometry to nine Sb+2.50- atoms. There are a spread of Pa–Sb bond distances ranging from 3.15–3.26 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded to five equivalent Pa5+ atoms to form a mixture of distorted corner and edge-sharing SbPa5 trigonal bipyramids. In the second Sb+2.50- site, Sb+2.50- is bonded in a 8-coordinate geometry to four equivalent Pa5+ and four equivalent Sb+2.50- atoms. All Sb–Sb bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaSb3 by Materials Project

PaSb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of face and corner-sharing PaSb12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.49 Å) Pa–Sb bond lengths. Sb1- is bonded in a 2-coordinate geometry to four equivalent Pa3+ and four equivalent Sb1- atoms. There are two shorter (3.09 Å) and two longer (3.27 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗