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DOE OSTI2020

Materials Data on HoInIr by Materials Project

HoIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.04 Å) Ho–Ir bond lengths. There are two shorter (3.21 Å) and four longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Ir–In bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Ir–In bond lengths are 2.83 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Ir atoms.

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Materials Data on Ho2(Ga3Co)3 by Materials Project

Ho2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ho–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.50–2.56 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.52 Å) and four longer (2.55 Å) Co–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Ho, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.81 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, three Co, and five Ga atoms. There are one shorter (2.69 Å) and two longer (2.80 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.72 Å.

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Materials Data on Ho3Si3O10F by Materials Project

Ho3Si3O10F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of Ho–O bond distances ranging from 2.29–2.58 Å. The Ho–F bond length is 2.24 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- and one F1- atom to form HoO6F pentagonal bipyramids that share corners with six SiO4 tetrahedra. There are a spread of Ho–O bond distances ranging from 2.23–2.46 Å. The Ho–F bond length is 2.39 Å. In the third Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- and one F1- atom. There are a spread of Ho–O bond distances ranging from 2.25–2.73 Å. The Ho–F bond length is 2.29 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6F pentagonal bipyramids and corners with two SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.66 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent HoO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Si4+ atom. F1- is bonded in a 3-coordinate geometry to three Ho3+ atoms.

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Materials Data on HoInPt by Materials Project

HoPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.12 Å) Ho–Pt bond lengths. There are two shorter (3.20 Å) and four longer (3.34 Å) Ho–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Pt–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.

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Materials Data on HoMn2 by Materials Project

HoMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Mn atoms. All Ho–Ho bond lengths are 3.12 Å. All Ho–Mn bond lengths are 2.99 Å. Mn is bonded to six equivalent Ho and six equivalent Mn atoms to form a mixture of edge, face, and corner-sharing MnHo6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.55 Å.

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Materials Data on HoAlNi by Materials Project

HoNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.85 Å) and one longer (2.88 Å) Ho–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.17 Å) Ho–Al 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 Al atoms. All Ni–Al bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Al atoms. All Ni–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ho, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

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Materials Data on HoInCu by Materials Project

HoCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (2.99 Å) and one longer (3.05 Å) Ho–Cu bond lengths. There are two shorter (3.18 Å) and four longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Cu–In bond lengths are 2.74 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Cu atoms.

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Materials Data on Ho2Zn17 by Materials Project

Ho2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Ho–Zn bond distances ranging from 3.10–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Ho and nine Zn atoms to form distorted ZnHo3Zn9 cuboctahedra that share corners with twenty-three ZnHo2Zn10 cuboctahedra, edges with ten ZnHo2Zn10 cuboctahedra, and faces with twenty ZnHo3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.54–2.86 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Ho and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded to two equivalent Ho and ten Zn atoms to form ZnHo2Zn10 cuboctahedra that share corners with twenty-two ZnHo2Zn10 cuboctahedra, edges with ten ZnHo2Zn10 cuboctahedra, and faces with eighteen ZnHo3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Ho and ten Zn atoms to form distorted ZnHo2Zn10 cuboctahedra that share corners with twenty-four ZnHo2Zn10 cuboctahedra, edges with five ZnHo2Zn10 cuboctahedra, and faces with twenty-one ZnHo3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.67 Å.

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Materials Data on HoSnPt by Materials Project

HoPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. All Ho–Pt bond lengths are 3.04 Å. There are two shorter (3.22 Å) and four longer (3.34 Å) Ho–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoInNi by Materials Project

HoNiIn 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 In atoms. There are four shorter (2.93 Å) and one longer (3.06 Å) Ho–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.27 Å) Ho–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Ni–In bond lengths are 2.82 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Ni atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ho2Al3Si2 by Materials Project

Ho2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Ho–Al bond distances ranging from 3.02–3.24 Å. There are a spread of Ho–Si bond distances ranging from 2.87–3.00 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Ho and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ho, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

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Materials Data on HoInAu by Materials Project

HoAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ho–Au bond lengths. There are two shorter (3.27 Å) and four longer (3.39 Å) Ho–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Au–In bond lengths are 2.85 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Au–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to six equivalent Ho and four Au atoms.

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Materials Data on HoAl2 by Materials Project

HoAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Al atoms. All Ho–Ho bond lengths are 3.40 Å. All Ho–Al bond lengths are 3.25 Å. Al is bonded to six equivalent Ho and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlHo6Al6 cuboctahedra. All Al–Al bond lengths are 2.77 Å.

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Materials Data on HoInPd by Materials Project

HoPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.14 Å) Ho–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.35 Å) Ho–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Pd–In bond lengths are 2.90 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Pd atoms.

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Materials Data on HoSi2Ni by Materials Project

HoNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Ho–Ni bond lengths are 3.03 Å. There are a spread of Ho–Si bond distances ranging from 3.00–3.10 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ho and five Si atoms. There are one shorter (2.26 Å) and four longer (2.32 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ho, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

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Materials Data on HoCoSn2 by Materials Project

HoCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Co and six Sn atoms. There are two shorter (2.89 Å) and two longer (3.02 Å) Ho–Co bond lengths. There are four shorter (3.10 Å) and two longer (3.26 Å) Ho–Sn bond lengths. Co is bonded in a distorted body-centered cubic geometry to four equivalent Ho and four equivalent Sn atoms. There are two shorter (2.53 Å) and two longer (2.66 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to two equivalent Ho and two equivalent Sn atoms to form distorted corner-sharing SnHo2Sn2 tetrahedra. Both Sn–Sn bond lengths are 2.91 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Co atoms.

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Materials Data on Ho11Te16ClO48 by Materials Project

Ho11Te16O48Cl crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.54 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.75 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.57 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.25–2.54 Å. In the fifth Ho3+ site, Ho3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.37 Å. In the sixth Ho3+ site, Ho3+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.45 Å. There are eight inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.97 Å. In the second Te4+ site, Te4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.95 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.62 Å. In the fourth Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.92–2.37 Å. The Te–Cl bond length is 2.89 Å. In the fifth Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. All Te–O bond lengths are 1.91 Å. In the sixth Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.93 Å) Te–O bond length. In the seventh Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.93 Å. In the eighth Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.18 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Ho3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two Ho3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+ and two Te4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Ho3+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two Ho3+ and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a distorted water-like geometry to two Te4+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Te4+ atom. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one Te4+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one Te4+ atom. In the seventeenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+ and one Te4+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+ and one Te4+ atom. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. In the twenty-first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and one Te4+ atom. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to one Ho3+ and one Te4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one Te4+ atom. Cl1- is bonded in a linear geometry to two equivalent Te4+ atoms.

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Materials Data on PrHo3 by Materials Project

Ho3Pr 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 Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with twelve equivalent HoPr4Ho8 cuboctahedra, edges with eight equivalent PrHo12 cuboctahedra, edges with sixteen equivalent HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with fourteen equivalent HoPr4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.58 Å. All Ho–Pr bond lengths are 3.58 Å. Pr is bonded to twelve equivalent Ho atoms to form PrHo12 cuboctahedra that share corners with twelve equivalent PrHo12 cuboctahedra, edges with twenty-four equivalent HoPr4Ho8 cuboctahedra, faces with six equivalent PrHo12 cuboctahedra, and faces with twelve equivalent HoPr4Ho8 cuboctahedra.

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