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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K3Ac by Materials Project

K3Ac is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Ac atoms to form KK8Ac4 cuboctahedra that share corners with four equivalent AcK12 cuboctahedra, corners with fourteen equivalent KK8Ac4 cuboctahedra, edges with six equivalent AcK12 cuboctahedra, edges with twelve equivalent KK8Ac4 cuboctahedra, faces with four equivalent AcK12 cuboctahedra, and faces with sixteen equivalent KK8Ac4 cuboctahedra. There are two shorter (4.39 Å) and six longer (4.48 Å) K–K bond lengths. There are two shorter (4.44 Å) and two longer (4.46 Å) K–Ac bond lengths. Ac is bonded to twelve equivalent K atoms to form AcK12 cuboctahedra that share corners with six equivalent AcK12 cuboctahedra, corners with twelve equivalent KK8Ac4 cuboctahedra, edges with eighteen equivalent KK8Ac4 cuboctahedra, faces with eight equivalent AcK12 cuboctahedra, and faces with twelve equivalent KK8Ac4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KAc3 by Materials Project

KAc3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent Ac atoms to form KAc12 cuboctahedra that share corners with twelve equivalent KAc12 cuboctahedra, edges with twenty-four equivalent AcK4Ac8 cuboctahedra, faces with six equivalent KAc12 cuboctahedra, and faces with twelve equivalent AcK4Ac8 cuboctahedra. All K–Ac bond lengths are 4.06 Å. Ac is bonded to four equivalent K and eight equivalent Ac atoms to form AcK4Ac8 cuboctahedra that share corners with twelve equivalent AcK4Ac8 cuboctahedra, edges with eight equivalent KAc12 cuboctahedra, edges with sixteen equivalent AcK4Ac8 cuboctahedra, faces with four equivalent KAc12 cuboctahedra, and faces with fourteen equivalent AcK4Ac8 cuboctahedra. All Ac–Ac bond lengths are 4.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KAc3 by Materials Project

KAc3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to fourteen Ac atoms. There are eight shorter (3.98 Å) and six longer (4.59 Å) K–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Ac atoms. All Ac–Ac bond lengths are 3.98 Å. In the second Ac site, Ac is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗