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Materials Data on HoIn5Co by Materials Project

HoCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve In atoms to form HoIn12 cuboctahedra that share corners with four equivalent HoIn12 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with four equivalent InHo4In8 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.25 Å) Ho–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.72 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.92–3.25 Å. In the second In site, In is bonded to four equivalent Ho and eight equivalent In atoms to form distorted InHo4In8 cuboctahedra that share corners with four equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with four equivalent InHo4In8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ho3(In2Co)2 by Materials Project

Ho3(CoIn2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to three Co and seven In atoms. There are two shorter (2.73 Å) and one longer (3.08 Å) Ho–Co bond lengths. There are a spread of Ho–In bond distances ranging from 3.04–3.47 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Co–In bond lengths are 3.21 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Co–In bond lengths are 2.83 Å. There are two inequivalent In sites. In the first In site, In is bonded in a trigonal planar geometry to three equivalent Ho and six equivalent In atoms. All In–In bond lengths are 3.30 Å. In the second In site, In is bonded in a 11-coordinate geometry to six equivalent Ho, three Co, and two equivalent In atoms.

36 MATERIALS SCIENCE↗

Materials Data on HoInCo4 by Materials Project

HoCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Ho–Co bond lengths are 2.92 Å. All Ho–In bond lengths are 3.04 Å. Co is bonded to three equivalent Ho, six equivalent Co, and three equivalent In atoms to form a mixture of edge, corner, and face-sharing CoHo3In3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Co–Co bond lengths. All Co–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Ho and twelve equivalent Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho2In8Co by Materials Project

Ho2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve In atoms to form HoIn12 cuboctahedra that share corners with eight equivalent HoIn12 cuboctahedra, edges with twelve InHo4In8 cuboctahedra, faces with five equivalent HoIn12 cuboctahedra, and faces with eight InHo4In8 cuboctahedra. There are four shorter (3.22 Å) and eight longer (3.28 Å) Ho–In bond lengths. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.73 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.87–3.28 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Ho, two equivalent Co, and seven In atoms. Both In–Ho bond lengths are 3.22 Å. There are two shorter (3.20 Å) and four longer (3.28 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Ho and eight In atoms to form distorted InHo4In8 cuboctahedra that share corners with four equivalent InHo4In8 cuboctahedra, edges with eight equivalent HoIn12 cuboctahedra, edges with eight equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with twelve InHo4In8 cuboctahedra. There are four shorter (3.28 Å) and four longer (3.30 Å) In–In bond lengths. In the fourth In site, In is bonded to four equivalent Ho and eight In atoms to form distorted InHo4In8 cuboctahedra that share corners with eight equivalent InHo4In8 cuboctahedra, edges with four equivalent HoIn12 cuboctahedra, edges with eight equivalent InHo4In8 cuboctahedra, faces with four equivalent HoIn12 cuboctahedra, and faces with nine InHo4In8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on HoInCo2 by Materials Project

HoCo2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ho is bonded in a 3-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Ho–Co bond distances ranging from 2.64–3.09 Å. There are four shorter (3.25 Å) and two longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ho, six Co, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing CoHo4In2Co6 cuboctahedra. There are four shorter (2.47 Å) and two longer (2.50 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.77 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Ho, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.70 Å. In is bonded in a 12-coordinate geometry to six equivalent Ho, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.28 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ho8In3Co by Materials Project

Ho8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are two shorter (3.25 Å) and two longer (3.79 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Ho–Co bond length is 2.81 Å. There are a spread of Ho–In bond distances ranging from 3.07–3.73 Å. In the third Ho site, Ho is bonded to one Co and three equivalent In atoms to form distorted corner-sharing HoIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 13–49°. The Ho–Co bond length is 2.70 Å. All Ho–In bond lengths are 3.21 Å. In the fourth Ho site, Ho is bonded to six equivalent In atoms to form distorted HoIn6 octahedra that share corners with six equivalent HoIn3Co tetrahedra and faces with two equivalent HoIn6 octahedra. There are three shorter (3.37 Å) and three longer (3.40 Å) Ho–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Ho atoms. In is bonded in a 11-coordinate geometry to eleven Ho atoms.

36 MATERIALS SCIENCE↗