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At least 19 records

Crystal and Magnetic Structures of the Ternary Ho 2 Ni 0.8 Si 1.2 and Ho 2 Ni 0.8 Ge 1.2 Compounds: An Example of Intermetallics Crystallizing with the Zr 2 Ni 1–x P Prototype

We report two new rare-earth (R) ternary intermetallic compounds—Ho 2 Ni 0.8 T 1.2 with T = Si and Ge—that correspond to the R 5 Ni 2 T 3 phase earlier reported to form in Dy–Ni–T and Ho–Ni–T ternary systems. The compounds crystallize in a filled version of the orthorhombic Zr 2 Ni 1–x P-type structure with x = 0.52; their stoichiometry, determined from both single-crystal and powder X-ray diffraction data, is centered on Ho 2 Ni 0.8 T 1.2 with a narrow solid solubility range for the silicide, while the germanide appears to be a line phase. In addition to R = Dy and Ho, R 2 Ni 0.8 T 1.2 compounds also form for R = Y and Tb, representing the first examples of rare-earth-based compounds adopting the Zr 2 Ni 1–x P structural prototype. Bulk magnetization data reveal the main transitions of the ferrimagnetic or ferromagnetic type at TC = 38 K for Ho 2 Ni 0.8 Si 1.2 and TC = 37 K for Ho 2 Ni 0.8 Ge 1.2 , which are followed by subsequent magnetic reordering at lower temperatures. Neutron diffraction shows complex magnetic structures below T C with both ferromagnetic and antiferromagnetic components and magnetic propagation vector κ 1 = [0, 0, 0]. Below T N ≅ 24 K (22 K) for the silicide (germanide), an additional antiferromagnetic coupling following an incommensurate magnetic propagation vector κ 2 = [κ x , 0, 0] appears to coexist with the first magnetic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Resolving Discrepancies between State-of-the-Art Theory and Experiment for HO 2 + HO 2 via Multiscale Informatics

Recent high-level theoretical calculations predict a mild temperature dependence for HO 2 + HO 2 inconsistent with state-of-the-art experimental determinations that upheld the stronger temperature dependence observed in early experiments. Via MultiScale Informatics analysis of the theoretical and experimental data, we identified an alternative interpretation of the raw experimental data that uses HO 2 + HO 2 rate constants nearly identical to theoretical predictions---implying that the theoretical and experimental data are actually consistent, at least when considering the raw data from experimental studies. Here, similar analyses of typical signals from low-temperature experiments indicate that an HOOOOH intermediate---identified by recent theory but absent from earlier interpretations---yields modest effects that are smaller than, but may have contributed to, the scatter in data among different experiments. More generally, the findings demonstrate that modern chemical theories and experiments have progressed to a point where meaningful comparison requires joint consideration of their data simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on Ho(HO)3 by Materials Project

Ho(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.41 Å) and three longer (2.47 Å) Ho–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Ho3+ and one H1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Ho(GaFe)6 by Materials Project

HoFe6Ga6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded to twelve Fe and eight Ga atoms to form distorted HoGa8Fe12 hexagonal bipyramids that share corners with eight equivalent HoGa8Fe12 hexagonal bipyramids, faces with twenty-four FeHo2Ga6Fe4 cuboctahedra, and faces with two equivalent HoGa8Fe12 hexagonal bipyramids. There are four shorter (3.26 Å) and eight longer (3.29 Å) Ho–Fe bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.84–2.98 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, four Fe, and six Ga atoms to form distorted FeHo2Ga6Fe4 cuboctahedra that share corners with fourteen FeHo2Ga6Fe4 cuboctahedra, edges with six FeHo2Ga6Fe4 cuboctahedra, faces with ten FeHo2Ga6Fe4 cuboctahedra, and faces with four equivalent HoGa8Fe12 hexagonal bipyramids. There are two shorter (2.51 Å) and two longer (2.52 Å) Fe–Fe bond lengths. There are a spread of Fe–Ga bond distances ranging from 2.55–2.61 Å. In the second Fe site, Fe is bonded to two equivalent Ho, four equivalent Fe, and six Ga atoms to form distorted FeHo2Ga6Fe4 cuboctahedra that share corners with fourteen FeHo2Ga6Fe4 cuboctahedra, edges with seven FeHo2Ga6Fe4 cuboctahedra, faces with nine FeHo2Ga6Fe4 cuboctahedra, and faces with four equivalent HoGa8Fe12 hexagonal bipyramids. There are a spread of Fe–Ga bond distances ranging from 2.57–2.64 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, six Fe, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, six Fe, and three Ga atoms. The Ga–Ga bond length is 2.71 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. The Ga–Ho bond length is 2.84 Å. Both Ga–Fe bond lengths are 2.64 Å. The Ga–Ga bond length is 2.83 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. The Ga–Ho bond length is 2.84 Å. All Ga–Fe bond lengths are 2.61 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. Both Ga–Fe bond lengths are 2.64 Å. The Ga–Ga bond length is 2.83 Å.

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Materials Data on Ho(TiGa2)2 by Materials Project

Ho(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.89 Å) and eight longer (3.32 Å) Ho–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.73 Å. All Ti–Ga bond lengths are 2.80 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. There are two shorter (2.67 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. There are two shorter (2.67 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.67 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.67 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms. In the eighth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, four equivalent Ti, and four Ga atoms.

36 MATERIALS SCIENCE↗

Crystal chemistry and phase equilibria of the CaO-½Ho 2 O 3 -CoO z system at 885 °C in air

Ini this work, the phase equilibrium diagram of the CaO-½Ho 2 O 3 -CoO z system was determined at 885 °C in air. This diagram offers compatibility relationships in the ternary oxide system that are essential for processing and for the understanding of properties of several thermoelectric phases in the system. Four three-phase regions and three solid solution tie-line regions were determined in the CaO-½Ho 2 O 3 -CoO z system. In the CaO-Ho 2 O 3 system, while a small solid solution region was identified for (Ho 1-x Ca x )O (3-z)/2 (0 ≤x ≤ 0.14), Ho was not present in the Ca site of CaO. Neither the reported Ho2CoO4 phase in the Ho 2 O-CoO z system nor the Ca-doped (Ho 1+x Ca1-x)CoO 4-z phase was present at 885 °C. No solid solution of the distorted perovskite, (Ho 1-x Cax)CoO 3-z , was established at this temperature. The CaO-CoO z system consists of two calcium cobaltate thermoelectric compounds. The 2D thermoelectric oxide, (Ca 3-x Ho x )Co 4 O 9-z (0 ≤x ≤ 0.5), has a misfit layered structure, and the 1D Ca 3 Co 2 O 6 consists of chains of alternating CoO 6 trigonal prisms and CoO 6 octahedra. Ca 3 Co 2 O 6 was found to be a stoichiometric compound. A comparison of the phase diagrams of the CaO -½ R 2 O 3 -CoO z (R = La, Nd, Eu, and Ho) systems is given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on Ho(MnAl)6 by Materials Project

Ho(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.19 Å) and eight longer (3.32 Å) Ho–Mn bond lengths. There are a spread of Ho–Al bond distances ranging from 2.91–3.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ho, four Mn, and six Al atoms. There are two shorter (2.47 Å) and two longer (2.53 Å) Mn–Mn bond lengths. There are a spread of Mn–Al bond distances ranging from 2.52–2.64 Å. In the second Mn site, Mn is bonded to two equivalent Ho, four equivalent Mn, and six Al atoms to form a mixture of distorted edge, corner, and face-sharing MnHo2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.62–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, six Mn, and three Al atoms. There are one shorter (2.71 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Ho, six Mn, and three Al atoms. There are one shorter (2.78 Å) and two longer (3.01 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, six Mn, and four Al atoms.

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Materials Data on Ho(SiNi5)2 by Materials Project

Ho(Ni5Si)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Ho–Ni bond distances ranging from 2.88–3.06 Å. All Ho–Si bond lengths are 3.16 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Ho, eight Ni, and two equivalent Si atoms to form NiHo2Si2Ni8 cuboctahedra that share corners with six equivalent SiHo2Ni10 cuboctahedra, corners with twelve NiHo2Si2Ni8 cuboctahedra, edges with four equivalent NiHo2Si2Ni8 cuboctahedra, edges with four equivalent SiHo2Ni10 cuboctahedra, faces with two equivalent SiHo2Ni10 cuboctahedra, and faces with twelve NiHo2Si2Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.47 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.33 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to one Ho, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.97 Å. Both Ni–Si bond lengths are 2.52 Å. In the third Ni site, Ni is bonded to two equivalent Ho, eight Ni, and two equivalent Si atoms to form distorted NiHo2Si2Ni8 cuboctahedra that share corners with four equivalent SiHo2Ni10 cuboctahedra, corners with fourteen NiHo2Si2Ni8 cuboctahedra, edges with two equivalent SiHo2Ni10 cuboctahedra, edges with five NiHo2Si2Ni8 cuboctahedra, faces with four equivalent SiHo2Ni10 cuboctahedra, and faces with eleven NiHo2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.57 Å. Both Ni–Si bond lengths are 2.31 Å. Si is bonded to two equivalent Ho and ten Ni atoms to form distorted SiHo2Ni10 cuboctahedra that share corners with four equivalent SiHo2Ni10 cuboctahedra, corners with fourteen NiHo2Si2Ni8 cuboctahedra, edges with eight NiHo2Si2Ni8 cuboctahedra, faces with four equivalent SiHo2Ni10 cuboctahedra, and faces with ten NiHo2Si2Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ho(MnGa)6 by Materials Project

Ho(MnGa)6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight Mn and twelve Ga atoms. There are four shorter (3.17 Å) and four longer (3.36 Å) Ho–Mn bond lengths. There are eight shorter (3.23 Å) and four longer (3.41 Å) Ho–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Ho, six Mn, and four equivalent Ga atoms. There are two shorter (2.41 Å) and four longer (2.69 Å) Mn–Mn bond lengths. All Mn–Ga bond lengths are 2.47 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to one Ho, seven Mn, and six Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.61–3.08 Å. There are a spread of Mn–Ga bond distances ranging from 2.57–2.76 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Ho, four equivalent Mn, and six Ga atoms to form a mixture of distorted face and corner-sharing GaHo2Mn4Ga6 cuboctahedra. There are two shorter (2.41 Å) and four longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, six Mn, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho(Fe5Si)2 by Materials Project

HoFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.93–3.18 Å. All Ho–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Ho, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.33–2.91 Å. Both Fe–Si bond lengths are 2.60 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one Ho, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.67 Å. Both Fe–Si bond lengths are 2.53 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.44 Å. Both Fe–Si bond lengths are 2.61 Å. In the fourth Fe site, Fe is bonded to two equivalent Ho, eight Fe, and two equivalent Si atoms to form distorted FeHo2Fe8Si2 cuboctahedra that share corners with four equivalent SiHo2Fe10 cuboctahedra, corners with ten equivalent FeHo2Fe8Si2 cuboctahedra, edges with two equivalent SiHo2Fe10 cuboctahedra, edges with four equivalent FeHo2Fe8Si2 cuboctahedra, faces with four equivalent SiHo2Fe10 cuboctahedra, and faces with six equivalent FeHo2Fe8Si2 cuboctahedra. Both Fe–Fe bond lengths are 2.38 Å. Both Fe–Si bond lengths are 2.39 Å. Si is bonded to two equivalent Ho and ten Fe atoms to form distorted SiHo2Fe10 cuboctahedra that share corners with six equivalent SiHo2Fe10 cuboctahedra, corners with eight equivalent FeHo2Fe8Si2 cuboctahedra, edges with three equivalent SiHo2Fe10 cuboctahedra, edges with four equivalent FeHo2Fe8Si2 cuboctahedra, a faceface with one SiHo2Fe10 cuboctahedra, and faces with eight equivalent FeHo2Fe8Si2 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ho(AlFe)6 by Materials Project

HoFe6Al6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.28 Å) Ho–Fe bond lengths. There are a spread of Ho–Al bond distances ranging from 2.85–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho, four Fe, and six Al atoms. All Fe–Fe bond lengths are 2.50 Å. There are two shorter (2.51 Å) and four longer (2.60 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded to two equivalent Ho, four equivalent Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FeHo2Al6Fe4 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, six Fe, and three Al atoms. There are one shorter (2.65 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Ho, six Fe, and one Al atom. The Al–Al bond length is 2.78 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, six Fe, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho(SiIr)2 by Materials Project

Ho(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.25 Å) Ho–Ir bond lengths. There are four shorter (3.16 Å) and four longer (3.18 Å) Ho–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ho and four equivalent Si atoms to form distorted IrHo4Si4 tetrahedra that share corners with twelve equivalent SiHo4Ir4 tetrahedra, edges with two equivalent SiHo4Ir4 tetrahedra, edges with four equivalent IrHo4Si4 tetrahedra, and faces with four equivalent IrHo4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Ho and four equivalent Ir atoms to form distorted SiHo4Ir4 tetrahedra that share corners with twelve equivalent IrHo4Si4 tetrahedra, edges with two equivalent IrHo4Si4 tetrahedra, edges with four equivalent SiHo4Ir4 tetrahedra, and faces with four equivalent SiHo4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ho and five Ir atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho(SiPt)2 by Materials Project

HoPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight Pt and eight Si atoms. There are four shorter (3.20 Å) and four longer (3.26 Å) Ho–Pt bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Ho–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded to four equivalent Ho and four equivalent Si atoms to form distorted PtHo4Si4 tetrahedra that share corners with twelve equivalent SiHo4Pt4 tetrahedra, edges with two equivalent SiHo4Pt4 tetrahedra, edges with four equivalent PtHo4Si4 tetrahedra, and faces with four equivalent PtHo4Si4 tetrahedra. All Pt–Si bond lengths are 2.48 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ho and five Pt atoms. In the second Si site, Si is bonded to four equivalent Ho and four equivalent Pt atoms to form distorted SiHo4Pt4 tetrahedra that share corners with twelve equivalent PtHo4Si4 tetrahedra, edges with two equivalent PtHo4Si4 tetrahedra, edges with four equivalent SiHo4Pt4 tetrahedra, and faces with four equivalent SiHo4Pt4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ho(Al2Fe)4 by Materials Project

HoFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Ho–Fe bond lengths are 3.32 Å. There are four shorter (2.95 Å) and eight longer (3.16 Å) Ho–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Ho, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Ho, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.

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Materials Data on Ho(GeRu)2 by Materials Project

Ho(RuGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Ho–Ru bond lengths are 3.26 Å. All Ho–Ge bond lengths are 3.28 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

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Materials Data on Ho(PRu)2 by Materials Project

Ho(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent P atoms. All Ho–Ru bond lengths are 3.13 Å. All Ho–P bond lengths are 3.10 Å. Ru is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent P atoms. All Ru–P bond lengths are 2.35 Å. P is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Ru, and one P atom. The P–P bond length is 2.38 Å.

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