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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho6CoBi2 by Materials Project

Ho6CoBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Bi atoms. Both Ho–Co bond lengths are 2.81 Å. Both Ho–Bi bond lengths are 3.30 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Ho–Co bond length is 3.29 Å. All Ho–Bi bond lengths are 3.28 Å. Co is bonded in a 9-coordinate geometry to nine Ho atoms. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Co2Bi by Materials Project

Ho5Co2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Co and two equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing HoCo3Bi2 square pyramids. There are one shorter (2.83 Å) and two longer (2.86 Å) Ho–Co bond lengths. Both Ho–Bi bond lengths are 3.32 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Co and two equivalent Bi atoms. All Ho–Co bond lengths are 2.93 Å. Both Ho–Bi bond lengths are 3.55 Å. Co is bonded in a 8-coordinate geometry to eight Ho atoms. Bi is bonded in a 10-coordinate geometry to ten Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5CoBi2 by Materials Project

Ho5CoBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoCoBi4 trigonal bipyramids. The Ho–Co bond length is 2.69 Å. All Ho–Bi bond lengths are 3.20 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Ho–Co bond length is 2.66 Å. There are two shorter (3.24 Å) and two longer (3.28 Å) Ho–Bi bond lengths. In the third Ho site, Ho is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Bi atoms. There are one shorter (2.80 Å) and one longer (2.85 Å) Ho–Co bond lengths. There are a spread of Ho–Bi bond distances ranging from 3.36–3.53 Å. In the fourth Ho site, Ho is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoCoBi4 trigonal bipyramids. The Ho–Co bond length is 2.98 Å. There are two shorter (3.15 Å) and two longer (3.19 Å) Ho–Bi bond lengths. Co is bonded to seven Ho atoms to form distorted edge-sharing CoHo7 pentagonal bipyramids. Bi is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗