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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoGaNi by Materials Project

HoNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to five equivalent Ni and six equivalent Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.06 Å. There are a spread of Ho–Ga bond distances ranging from 2.99–3.11 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.51–2.64 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGa4Ni by Materials Project

HoNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Ho–Ni bond lengths are 3.13 Å. There are a spread of Ho–Ga bond distances ranging from 2.90–3.39 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.35–2.50 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Ho, three equivalent Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–3.00 Å. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Ho, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.84 Å. In the third Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Ho and six Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4Ga21Ni10 by Materials Project

Ho4Ni10Ga21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.88–3.21 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.14 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.40 Å. In the third Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.41 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are a spread of Ho–Ni bond distances ranging from 3.11–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.89–3.20 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.72 Å. There are a spread of Ni–Ga bond distances ranging from 2.38–2.57 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.61 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.60 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.74 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.56 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.70 Å. In the sixth Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the seventh Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the eighth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.71 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.55 Å. In the tenth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.39–2.57 Å. There are twenty-one inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.89 Å. In the third Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.68 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the seventh Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and two Ga atoms. There are one shorter (2.66 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.94 Å. In the tenth Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and four Ga atoms. In the eleventh Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. The Ga–Ga bond length is 2.89 Å. In the twelfth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the thirteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the fourteenth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the fifteenth Ga site, Ga is bonded in a 12-coordinate geometry to four Ni and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.93 Å. In the sixteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the seventeenth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. In the eighteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho and three Ni atoms. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the twentieth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. In the twenty-first Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGa2Ni by Materials Project

HoNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (3.02 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.98–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Ga atoms. There are two shorter (2.51 Å) and four longer (2.52 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to five equivalent Ho and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3GaNi by Materials Project

Ho3NiGa crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to three Ni and three Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.85–3.40 Å. There are a spread of Ho–Ga bond distances ranging from 2.94–3.29 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Ga atoms. Both Ho–Ni bond lengths are 2.70 Å. Both Ho–Ga bond lengths are 2.98 Å. In the third Ho site, Ho is bonded to two equivalent Ni and four Ga atoms to form distorted HoGa4Ni2 octahedra that share an edgeedge with one HoGa4Ni2 octahedra and an edgeedge with one HoGa4 tetrahedra. Both Ho–Ni bond lengths are 2.90 Å. There are two shorter (3.16 Å) and two longer (3.23 Å) Ho–Ga bond lengths. In the fourth Ho site, Ho is bonded to four equivalent Ga atoms to form distorted edge-sharing HoGa4 tetrahedra. All Ho–Ga bond lengths are 2.99 Å. In the fifth Ho site, Ho is bonded in a 6-coordinate geometry to three Ni and three equivalent Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.71–2.91 Å. There are a spread of Ho–Ga bond distances ranging from 3.07–3.40 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to eight Ho atoms. In the second Ni site, Ni is bonded in a 10-coordinate geometry to eight equivalent Ho and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.70 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to ten Ho atoms. In the third Ga site, Ga is bonded in a 8-coordinate geometry to eight Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Ga3Ni by Materials Project

Ho2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.15 Å) and two longer (3.20 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.98–3.25 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Ho–Ni bond lengths are 3.02 Å. There are a spread of Ho–Ga bond distances ranging from 2.99–3.36 Å. Ni is bonded in a 10-coordinate geometry to six Ho and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.70 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Ni, and three Ga atoms. There are two shorter (2.61 Å) and one longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.66 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ho, one Ni, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4Ga12Ni by Materials Project

Ho4NiGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent HoGa12 cuboctahedra, edges with twelve equivalent GaHo4Ga8 cuboctahedra, faces with six equivalent HoGa12 cuboctahedra, faces with six equivalent GaHo4Ga8 cuboctahedra, and faces with two equivalent NiGa6 octahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Ho–Ga bond lengths. Ni is bonded to six equivalent Ga atoms to form NiGa6 octahedra that share corners with twenty-four equivalent GaHo4Ga8 cuboctahedra and faces with eight equivalent HoGa12 cuboctahedra. All Ni–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ho and eight Ga atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent GaHo4Ga8 cuboctahedra, corners with four equivalent NiGa6 octahedra, edges with eight equivalent HoGa12 cuboctahedra, edges with eight equivalent GaHo4Ga8 cuboctahedra, faces with four equivalent HoGa12 cuboctahedra, and faces with six equivalent GaHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.80 Å) and four longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Ho, one Ni, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho6GaNi2 by Materials Project

Ho6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.77 Å) and one longer (3.17 Å) Ho–Ni bond lengths. There are one shorter (2.99 Å) and one longer (3.21 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.69 Å) and two longer (2.86 Å) Ho–Ni bond lengths. The Ho–Ga bond length is 3.33 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.91 Å) and one longer (3.12 Å) Ho–Ni bond lengths. There are one shorter (3.15 Å) and one longer (3.62 Å) Ho–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.39 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Ho atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(GaNi3)2 by Materials Project

Ho3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.74 Å) and four longer (3.03 Å) Ho–Ni bond lengths. All Ho–Ga bond lengths are 3.15 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ho, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.56 Å) and two longer (2.85 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.48 Å. Ga is bonded to six equivalent Ho and six equivalent Ni atoms to form a mixture of face and corner-sharing GaHo6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗