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DOE OSTI2020

Materials Data on HoZr by Materials Project

HoZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded to six equivalent Ho and six equivalent Zr atoms to form HoHo6Zr6 cuboctahedra that share corners with eighteen equivalent HoHo6Zr6 cuboctahedra, edges with six equivalent HoHo6Zr6 cuboctahedra, edges with twelve equivalent ZrHo6Zr6 cuboctahedra, faces with eight equivalent HoHo6Zr6 cuboctahedra, and faces with twelve equivalent ZrHo6Zr6 cuboctahedra. All Ho–Ho bond lengths are 3.41 Å. All Ho–Zr bond lengths are 3.32 Å. Zr is bonded to six equivalent Ho and six equivalent Zr atoms to form ZrHo6Zr6 cuboctahedra that share corners with eighteen equivalent ZrHo6Zr6 cuboctahedra, edges with six equivalent ZrHo6Zr6 cuboctahedra, edges with twelve equivalent HoHo6Zr6 cuboctahedra, faces with eight equivalent ZrHo6Zr6 cuboctahedra, and faces with twelve equivalent HoHo6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.41 Å.

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Materials Data on LiHoSn2 by Materials Project

LiHoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Ho and five Sn atoms. All Li–Ho bond lengths are 3.38 Å. There are a spread of Li–Sn bond distances ranging from 2.46–2.67 Å. Ho is bonded in a 4-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.34–3.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Ho atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Ho atoms to form a mixture of face and edge-sharing SnLi4Ho4 tetrahedra.

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Materials Data on HoNiSn by Materials Project

HoNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. All Ho–Ni bond lengths are 2.94 Å. There are two shorter (3.11 Å) and four longer (3.24 Å) Ho–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.72 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Ni atoms.

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Materials Data on K3HoSi3O10 by Materials Project

K3HoSi3O10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to eleven O atoms. There are a spread of K–O bond distances ranging from 2.67–3.32 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.75–3.07 Å. Ho is bonded to six O atoms to form HoO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.20–2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–53°. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Ho, and one Si atom. In the second O site, O is bonded in a 2-coordinate geometry to three K, one Ho, and one Si atom. In the third O site, O is bonded in a 4-coordinate geometry to two K, one Ho, and one Si atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Ho, and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to two K and two Si atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to four K and one Si atom.

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Materials Data on Ho3Bi by Materials Project

Ho3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Bi atoms to form distorted HoHo8Bi4 cuboctahedra that share corners with twelve equivalent HoHo8Bi4 cuboctahedra, edges with eight equivalent BiHo12 cuboctahedra, edges with sixteen equivalent HoHo8Bi4 cuboctahedra, faces with four equivalent BiHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Bi4 cuboctahedra. All Ho–Ho bond lengths are 3.43 Å. All Ho–Bi bond lengths are 3.43 Å. Bi is bonded to twelve equivalent Ho atoms to form BiHo12 cuboctahedra that share corners with twelve equivalent BiHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Bi4 cuboctahedra, faces with six equivalent BiHo12 cuboctahedra, and faces with twelve equivalent HoHo8Bi4 cuboctahedra.

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Materials Data on Ho3Si2(SnRh3)3 by Materials Project

Ho3Si2(Rh3Sn)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to ten Rh and two equivalent Si atoms. There are a spread of Ho–Rh bond distances ranging from 2.89–3.15 Å. Both Ho–Si bond lengths are 3.00 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ho, two equivalent Sn, and two equivalent Si atoms. Both Rh–Sn bond lengths are 2.78 Å. Both Rh–Si bond lengths are 2.42 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Ho and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.72 Å. Sn is bonded in a distorted body-centered cubic geometry to eight Rh atoms. Si is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Rh atoms.

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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.

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Materials Data on Ho3Er by Materials Project

ErHo3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ho atoms to form ErHo12 cuboctahedra that share corners with twelve equivalent ErHo12 cuboctahedra, edges with twenty-four equivalent HoHo8Er4 cuboctahedra, faces with six equivalent ErHo12 cuboctahedra, and faces with twelve equivalent HoHo8Er4 cuboctahedra. All Er–Ho bond lengths are 3.52 Å. Ho is bonded to four equivalent Er and eight equivalent Ho atoms to form HoHo8Er4 cuboctahedra that share corners with twelve equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen equivalent HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen equivalent HoHo8Er4 cuboctahedra. All Ho–Ho bond lengths are 3.52 Å.

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Materials Data on HoGa3Os by Materials Project

HoOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Ho–Os bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Os is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted OsHo4Ga8 cuboctahedra that share corners with four equivalent OsHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent OsHo4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent OsHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.

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Materials Data on Ho5B2(O2F3)3 by Materials Project

Ho5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of Ho–O bond distances ranging from 2.33–2.56 Å. There are a spread of Ho–F bond distances ranging from 2.21–2.41 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Ho–O bond distances ranging from 2.31–2.41 Å. There are a spread of Ho–F bond distances ranging from 2.23–2.51 Å. In the third Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are two shorter (2.34 Å) and two longer (2.36 Å) Ho–O bond lengths. There are a spread of Ho–F bond distances ranging from 2.28–2.64 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ho3+ and one B3+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Ho3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Ho3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Ho3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Ho3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ho3+ atoms.

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Materials Data on Ho2SeOF2 by Materials Project

Ho2SeOF2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to four equivalent Se2-, three equivalent O2-, and one F1- atom. There are two shorter (3.02 Å) and two longer (3.04 Å) Ho–Se bond lengths. There are one shorter (2.25 Å) and two longer (2.26 Å) Ho–O bond lengths. The Ho–F bond length is 2.42 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to two equivalent Se2-, one O2-, and six F1- atoms. Both Ho–Se bond lengths are 3.05 Å. The Ho–O bond length is 2.27 Å. There are a spread of Ho–F bond distances ranging from 2.35–2.42 Å. Se2- is bonded in a 6-coordinate geometry to six Ho3+ atoms. O2- is bonded to four Ho3+ atoms to form distorted OHo4 tetrahedra that share corners with two equivalent OHo4 tetrahedra, corners with two equivalent FHo4 tetrahedra, edges with two equivalent OHo4 tetrahedra, and edges with two equivalent FHo4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Ho3+ atoms. In the second F1- site, F1- is bonded to four Ho3+ atoms to form distorted FHo4 tetrahedra that share corners with two equivalent OHo4 tetrahedra, corners with six equivalent FHo4 tetrahedra, and edges with two equivalent OHo4 tetrahedra.

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Materials Data on Ho2SnAu2 by Materials Project

Ho2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to six Au and two equivalent Sn atoms. There are two shorter (3.03 Å) and four longer (3.04 Å) Ho–Au bond lengths. Both Ho–Sn bond lengths are 3.12 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to six equivalent Ho atoms. In the second Au site, Au is bonded in a 6-coordinate geometry to six equivalent Ho atoms. Sn is bonded in a rectangular see-saw-like geometry to four equivalent Ho atoms.

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Materials Data on LiHo3 by Materials Project

LiHo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Ho atoms to form LiHo12 cuboctahedra that share corners with six equivalent LiHo12 cuboctahedra, corners with twelve equivalent HoLi4Ho8 cuboctahedra, edges with eighteen equivalent HoLi4Ho8 cuboctahedra, faces with eight equivalent LiHo12 cuboctahedra, and faces with twelve equivalent HoLi4Ho8 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.49 Å) Li–Ho bond lengths. Ho is bonded to four equivalent Li and eight equivalent Ho atoms to form distorted HoLi4Ho8 cuboctahedra that share corners with four equivalent LiHo12 cuboctahedra, corners with fourteen equivalent HoLi4Ho8 cuboctahedra, edges with six equivalent LiHo12 cuboctahedra, edges with twelve equivalent HoLi4Ho8 cuboctahedra, faces with four equivalent LiHo12 cuboctahedra, and faces with sixteen equivalent HoLi4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.42–3.53 Å.

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Materials Data on CeHo3 by Materials Project

Ho3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Ce atoms to form HoCe4Ho8 cuboctahedra that share corners with twelve equivalent HoCe4Ho8 cuboctahedra, edges with eight equivalent CeHo12 cuboctahedra, edges with sixteen equivalent HoCe4Ho8 cuboctahedra, faces with four equivalent CeHo12 cuboctahedra, and faces with fourteen equivalent HoCe4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. All Ho–Ce bond lengths are 3.55 Å. Ce is bonded to twelve equivalent Ho atoms to form CeHo12 cuboctahedra that share corners with twelve equivalent CeHo12 cuboctahedra, edges with twenty-four equivalent HoCe4Ho8 cuboctahedra, faces with six equivalent CeHo12 cuboctahedra, and faces with twelve equivalent HoCe4Ho8 cuboctahedra.

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Materials Data on HoBeCu4 by Materials Project

BeHoCu4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Be is bonded in a 12-coordinate geometry to three equivalent Ho and nine Cu atoms. All Be–Ho bond lengths are 2.90 Å. There are six shorter (2.41 Å) and three longer (2.90 Å) Be–Cu bond lengths. Ho is bonded in a 6-coordinate geometry to three equivalent Be and fifteen Cu atoms. There are three shorter (2.90 Å) and twelve longer (3.18 Å) Ho–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Be, three equivalent Ho, and six equivalent Cu atoms to form distorted CuHo3Be3Cu6 cuboctahedra that share corners with twelve equivalent CuHo4Be2Cu6 cuboctahedra, edges with six equivalent CuHo3Be3Cu6 cuboctahedra, and faces with twenty CuHo3Be3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.45 Å. In the second Cu site, Cu is bonded to two equivalent Be, four equivalent Ho, and six Cu atoms to form distorted CuHo4Be2Cu6 cuboctahedra that share corners with twenty CuHo3Be3Cu6 cuboctahedra, edges with ten equivalent CuHo4Be2Cu6 cuboctahedra, and faces with sixteen CuHo3Be3Cu6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.57 Å) Cu–Cu bond lengths.

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Materials Data on Ho2PbS4 by Materials Project

Ho2PbS4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are six inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 46–62°. There are a spread of Ho–S bond distances ranging from 2.70–2.77 Å. In the second Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Ho–S bond distances ranging from 2.71–2.77 Å. In the third Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ho–S bond distances ranging from 2.72–2.77 Å. In the fourth Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Ho–S bond distances ranging from 2.69–2.79 Å. In the fifth Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 46–62°. There are a spread of Ho–S bond distances ranging from 2.70–2.77 Å. In the sixth Ho3+ site, Ho3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing HoS6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ho–S bond distances ranging from 2.71–2.75 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.42 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.80–3.48 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.05–3.53 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and two Pb2+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the fourth S2- site, S2- is bonded to three Ho3+ and one Pb2+ atom to form distorted corner-sharing SHo3Pb trigonal pyramids. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two Pb2+ atoms. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two Pb2+ atoms. In the seventh S2- site, S2- is bonded to three Ho3+ and one Pb2+ atom to form distorted corner-sharing SHo3Pb trigonal pyramids. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the ninth S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the tenth S2- site, S2- is bonded in a 5-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the eleventh S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms. In the twelfth S2- site, S2- is bonded in a 3-coordinate geometry to three Ho3+ and two equivalent Pb2+ atoms.

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Materials Data on K2HoSbO7 by Materials Project

K2HoSbO7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with two equivalent KO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, edges with four equivalent KO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of K–O bond distances ranging from 2.63–3.07 Å. In the second K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with six KO8 hexagonal bipyramids, edges with two equivalent HoO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. Ho is bonded to six O atoms to form HoO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 35–50°. There are a spread of Ho–O bond distances ranging from 2.23–2.26 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with four equivalent HoO6 octahedra, and edges with six KO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There is two shorter (1.96 Å) and four longer (2.00 Å) Sb–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Ho, and one Sb atom. In the third O site, O is bonded in a 2-coordinate geometry to two K, one Ho, and one Sb atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Ho atoms. In the fifth O site, O is bonded in a distorted rectangular see-saw-like geometry to three K and one Sb atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two equivalent K and two equivalent Ho atoms.

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Materials Data on HoFeGe2 by Materials Project

HoFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Ho–Fe bond lengths are 3.18 Å. There are a spread of Ho–Ge bond distances ranging from 3.11–3.27 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.26–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Fe atoms.

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