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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PaH3 by Materials Project

PaH3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pa3+ sites. In the first Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form face-sharing PaH12 cuboctahedra. All Pa–H bond lengths are 2.27 Å. In the second Pa3+ site, Pa3+ is bonded to twelve equivalent H1- atoms to form a mixture of edge and face-sharing PaH12 cuboctahedra. There are four shorter (2.32 Å) and eight longer (2.34 Å) Pa–H bond lengths. H1- is bonded to four Pa3+ atoms to form a mixture of corner, edge, and face-sharing HPa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3H by Materials Project

Pa3H crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Pa3H ribbons oriented in the (0, 0, 1) direction. Pa is bonded in a distorted L-shaped geometry to two equivalent H atoms. Both Pa–H bond lengths are 2.58 Å. H is bonded in a 6-coordinate geometry to six equivalent Pa atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pa3H by Materials Project

Pa3H 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 H atoms to form distorted PaPa8H4 cuboctahedra that share corners with twelve equivalent PaPa8H4 cuboctahedra, edges with eight equivalent HPa12 cuboctahedra, edges with sixteen equivalent PaPa8H4 cuboctahedra, faces with four equivalent HPa12 cuboctahedra, and faces with fourteen equivalent PaPa8H4 cuboctahedra. All Pa–Pa bond lengths are 3.03 Å. All Pa–H bond lengths are 3.03 Å. H is bonded to twelve equivalent Pa atoms to form HPa12 cuboctahedra that share corners with twelve equivalent HPa12 cuboctahedra, edges with twenty-four equivalent PaPa8H4 cuboctahedra, faces with six equivalent HPa12 cuboctahedra, and faces with twelve equivalent PaPa8H4 cuboctahedra.

36 MATERIALS SCIENCE↗