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Materials Data on YbSi2Ni by Materials Project

YbNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four equivalent Ni and ten Si atoms. All Yb–Ni bond lengths are 3.02 Å. There are a spread of Yb–Si bond distances ranging from 3.04–3.25 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Yb and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.29–2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Yb, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.81 Å.

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Materials Data on YbAgGe by Materials Project

YbAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.22 Å) and four longer (3.43 Å) Yb–Ag bond lengths. There are one shorter (3.02 Å) and four longer (3.05 Å) Yb–Ge bond lengths. Ag is bonded to six equivalent Yb, two equivalent Ag, and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgYb6Ag2Ge4 cuboctahedra. Both Ag–Ag bond lengths are 2.99 Å. There are two shorter (2.74 Å) and two longer (2.80 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ag atoms.

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Materials Data on Yb3V by Materials Project

Yb3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent V atoms to form distorted YbYb8V4 cuboctahedra that share corners with twelve equivalent YbYb8V4 cuboctahedra, edges with eight equivalent VYb12 cuboctahedra, edges with sixteen equivalent YbYb8V4 cuboctahedra, faces with four equivalent VYb12 cuboctahedra, and faces with fourteen equivalent YbYb8V4 cuboctahedra. All Yb–Yb bond lengths are 3.53 Å. All Yb–V bond lengths are 3.53 Å. V is bonded to twelve equivalent Yb atoms to form VYb12 cuboctahedra that share corners with twelve equivalent VYb12 cuboctahedra, edges with twenty-four equivalent YbYb8V4 cuboctahedra, faces with six equivalent VYb12 cuboctahedra, and faces with twelve equivalent YbYb8V4 cuboctahedra.

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Materials Data on Yb3Mg by Materials Project

MgYb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Yb atoms to form MgYb12 cuboctahedra that share corners with twelve equivalent MgYb12 cuboctahedra, edges with twenty-four equivalent YbYb8Mg4 cuboctahedra, faces with six equivalent MgYb12 cuboctahedra, and faces with twelve equivalent YbYb8Mg4 cuboctahedra. All Mg–Yb bond lengths are 3.69 Å. Yb is bonded to four equivalent Mg and eight equivalent Yb atoms to form YbYb8Mg4 cuboctahedra that share corners with twelve equivalent YbYb8Mg4 cuboctahedra, edges with eight equivalent MgYb12 cuboctahedra, edges with sixteen equivalent YbYb8Mg4 cuboctahedra, faces with four equivalent MgYb12 cuboctahedra, and faces with fourteen equivalent YbYb8Mg4 cuboctahedra. All Yb–Yb bond lengths are 3.69 Å.

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Materials Data on Yb3Y by Materials Project

Yb3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Y atoms to form YbYb8Y4 cuboctahedra that share corners with four equivalent YYb12 cuboctahedra, corners with fourteen equivalent YbYb8Y4 cuboctahedra, edges with six equivalent YYb12 cuboctahedra, edges with twelve equivalent YbYb8Y4 cuboctahedra, faces with four equivalent YYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Y4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.66–3.83 Å. There are two shorter (3.72 Å) and two longer (3.75 Å) Yb–Y bond lengths. Y is bonded to twelve equivalent Yb atoms to form YYb12 cuboctahedra that share corners with six equivalent YYb12 cuboctahedra, corners with twelve equivalent YbYb8Y4 cuboctahedra, edges with eighteen equivalent YbYb8Y4 cuboctahedra, faces with eight equivalent YYb12 cuboctahedra, and faces with twelve equivalent YbYb8Y4 cuboctahedra.

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Materials Data on YbTa by Materials Project

YbTa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb is bonded to six equivalent Yb and six equivalent Ta atoms to form YbYb6Ta6 cuboctahedra that share corners with eighteen equivalent YbYb6Ta6 cuboctahedra, edges with six equivalent YbYb6Ta6 cuboctahedra, edges with twelve equivalent TaYb6Ta6 cuboctahedra, faces with eight equivalent YbYb6Ta6 cuboctahedra, and faces with twelve equivalent TaYb6Ta6 cuboctahedra. All Yb–Yb bond lengths are 3.10 Å. All Yb–Ta bond lengths are 3.24 Å. Ta is bonded to six equivalent Yb and six equivalent Ta atoms to form TaYb6Ta6 cuboctahedra that share corners with eighteen equivalent TaYb6Ta6 cuboctahedra, edges with six equivalent TaYb6Ta6 cuboctahedra, edges with twelve equivalent YbYb6Ta6 cuboctahedra, faces with eight equivalent TaYb6Ta6 cuboctahedra, and faces with twelve equivalent YbYb6Ta6 cuboctahedra. All Ta–Ta bond lengths are 3.10 Å.

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Materials Data on YbGa2Ag by Materials Project

YbAgGa2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to five equivalent Ag and nine Ga atoms. There are a spread of Yb–Ag bond distances ranging from 3.20–3.48 Å. There are a spread of Yb–Ga bond distances ranging from 3.02–3.52 Å. Ag is bonded in a 12-coordinate geometry to five equivalent Yb, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.06 Å. There are a spread of Ag–Ga bond distances ranging from 2.74–2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Yb, two equivalent Ag, and three equivalent Ga atoms. There are two shorter (2.65 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Yb, three equivalent Ag, and three equivalent Ga atoms.

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Materials Data on YbCdPb by Materials Project

YbCdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to six equivalent Cd and five Pb atoms. There are two shorter (3.48 Å) and four longer (3.76 Å) Yb–Cd bond lengths. There are one shorter (3.33 Å) and four longer (3.34 Å) Yb–Pb bond lengths. Cd is bonded in a 4-coordinate geometry to six equivalent Yb and four Pb atoms. There are two shorter (2.98 Å) and two longer (3.09 Å) Cd–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Cd atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cd atoms.

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Materials Data on Yb3Zr by Materials Project

Yb3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Zr atoms to form distorted YbYb8Zr4 cuboctahedra that share corners with four equivalent ZrYb12 cuboctahedra, corners with fourteen equivalent YbYb8Zr4 cuboctahedra, edges with six equivalent ZrYb12 cuboctahedra, edges with twelve equivalent YbYb8Zr4 cuboctahedra, faces with four equivalent ZrYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Zr4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.48–3.80 Å. There are two shorter (3.53 Å) and two longer (3.64 Å) Yb–Zr bond lengths. Zr is bonded to twelve equivalent Yb atoms to form ZrYb12 cuboctahedra that share corners with six equivalent ZrYb12 cuboctahedra, corners with twelve equivalent YbYb8Zr4 cuboctahedra, edges with eighteen equivalent YbYb8Zr4 cuboctahedra, faces with eight equivalent ZrYb12 cuboctahedra, and faces with twelve equivalent YbYb8Zr4 cuboctahedra.

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Materials Data on Yb3Nb by Materials Project

Yb3Nb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Nb atoms to form distorted YbYb8Nb4 cuboctahedra that share corners with four equivalent NbYb12 cuboctahedra, corners with fourteen equivalent YbYb8Nb4 cuboctahedra, edges with six equivalent NbYb12 cuboctahedra, edges with twelve equivalent YbYb8Nb4 cuboctahedra, faces with four equivalent NbYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Nb4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.36–3.71 Å. There are two shorter (3.43 Å) and two longer (3.54 Å) Yb–Nb bond lengths. Nb is bonded to twelve equivalent Yb atoms to form NbYb12 cuboctahedra that share corners with six equivalent NbYb12 cuboctahedra, corners with twelve equivalent YbYb8Nb4 cuboctahedra, edges with eighteen equivalent YbYb8Nb4 cuboctahedra, faces with eight equivalent NbYb12 cuboctahedra, and faces with twelve equivalent YbYb8Nb4 cuboctahedra.

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Materials Data on Yb2(Ga3Ir)3 by Materials Project

Yb2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Yb–Ga bond distances ranging from 3.05–3.13 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.56–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.60 Å) and four longer (2.62 Å) Ir–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Ir, and six Ga atoms. There are two shorter (2.76 Å) and four longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Yb, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.92 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Ir, and five Ga atoms. There are one shorter (2.76 Å) and two longer (2.86 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.

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Materials Data on Yb3Mg by Materials Project

MgYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Yb atoms to form MgYb12 cuboctahedra that share corners with six equivalent MgYb12 cuboctahedra, corners with twelve equivalent YbYb8Mg4 cuboctahedra, edges with eighteen equivalent YbYb8Mg4 cuboctahedra, faces with eight equivalent MgYb12 cuboctahedra, and faces with twelve equivalent YbYb8Mg4 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.67 Å) Mg–Yb bond lengths. Yb is bonded to four equivalent Mg and eight equivalent Yb atoms to form YbYb8Mg4 cuboctahedra that share corners with four equivalent MgYb12 cuboctahedra, corners with fourteen equivalent YbYb8Mg4 cuboctahedra, edges with six equivalent MgYb12 cuboctahedra, edges with twelve equivalent YbYb8Mg4 cuboctahedra, faces with four equivalent MgYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Mg4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.60–3.75 Å.

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Materials Data on CaYb3 by Materials Project

CaYb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Yb atoms to form CaYb12 cuboctahedra that share corners with twelve equivalent CaYb12 cuboctahedra, edges with twenty-four equivalent YbCa4Yb8 cuboctahedra, faces with six equivalent CaYb12 cuboctahedra, and faces with twelve equivalent YbCa4Yb8 cuboctahedra. All Ca–Yb bond lengths are 3.88 Å. Yb is bonded to four equivalent Ca and eight equivalent Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eight equivalent CaYb12 cuboctahedra, edges with sixteen equivalent YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with fourteen equivalent YbCa4Yb8 cuboctahedra. All Yb–Yb bond lengths are 3.88 Å.

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Materials Data on Yb3Tm by Materials Project

Yb3Tm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Tm atoms to form YbYb8Tm4 cuboctahedra that share corners with four equivalent TmYb12 cuboctahedra, corners with fourteen equivalent YbYb8Tm4 cuboctahedra, edges with six equivalent TmYb12 cuboctahedra, edges with twelve equivalent YbYb8Tm4 cuboctahedra, faces with four equivalent TmYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Tm4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.65–3.84 Å. There are two shorter (3.69 Å) and two longer (3.75 Å) Yb–Tm bond lengths. Tm is bonded to twelve equivalent Yb atoms to form TmYb12 cuboctahedra that share corners with six equivalent TmYb12 cuboctahedra, corners with twelve equivalent YbYb8Tm4 cuboctahedra, edges with eighteen equivalent YbYb8Tm4 cuboctahedra, faces with eight equivalent TmYb12 cuboctahedra, and faces with twelve equivalent YbYb8Tm4 cuboctahedra.

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Materials Data on YbSi2 by Materials Project

YbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded to twelve Si atoms to form a mixture of edge and face-sharing YbSi12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.19 Å) Yb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are two shorter (3.08 Å) and four longer (3.19 Å) Si–Yb bond lengths. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths.

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Materials Data on YbAlCu4 by Materials Project

YbCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.97 Å) and twelve longer (3.27 Å) Yb–Cu bond lengths. All Yb–Al bond lengths are 2.97 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Yb, six equivalent Cu, and three equivalent Al atoms to form CuYb3Al3Cu6 cuboctahedra that share corners with nine equivalent AlYb3Cu9 cuboctahedra, corners with twelve equivalent CuYb4Al2Cu6 cuboctahedra, edges with six equivalent CuYb3Al3Cu6 cuboctahedra, faces with three equivalent AlYb3Cu9 cuboctahedra, and faces with twenty CuYb3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å. All Cu–Al bond lengths are 2.97 Å. In the second Cu site, Cu is bonded to four equivalent Yb, six Cu, and two equivalent Al atoms to form distorted CuYb4Al2Cu6 cuboctahedra that share corners with four equivalent AlYb3Cu9 cuboctahedra, corners with twenty CuYb3Al3Cu6 cuboctahedra, edges with ten equivalent CuYb4Al2Cu6 cuboctahedra, faces with six equivalent AlYb3Cu9 cuboctahedra, and faces with sixteen CuYb3Al3Cu6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.51 Å. Al is bonded to three equivalent Yb and nine Cu atoms to form distorted AlYb3Cu9 cuboctahedra that share corners with twenty-one CuYb3Al3Cu6 cuboctahedra, edges with six equivalent AlYb3Cu9 cuboctahedra, faces with two equivalent AlYb3Cu9 cuboctahedra, and faces with twenty-one CuYb3Al3Cu6 cuboctahedra.

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Materials Data on Yb9Y3Al20O48 by Materials Project

Yb9Y3Al20O48 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are six inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.49 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.35–2.50 Å. In the third Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.47 Å. In the fourth Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.47 Å. In the fifth Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.47 Å. In the sixth Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.47 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.47 Å. In the second Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.46 Å. There are twelve inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–49°. There is three shorter (1.78 Å) and one longer (1.79 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There is two shorter (1.77 Å) and two longer (1.78 Å) Al–O bond length. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. All Al–O bond lengths are 1.78 Å. In the fifth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. All Al–O bond lengths are 1.78 Å. In the sixth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. All Al–O bond lengths are 1.78 Å. In the seventh Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. In the eighth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–49°. There is one shorter (1.77 Å) and three longer (1.78 Å) Al–O bond length. In the ninth Al3+ site, Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.92–1.95 Å. In the tenth Al3+ site, Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.92–1.95 Å. In the eleventh Al3+ site, Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.92–1.95 Å. In the twelfth Al3+ site, Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.92–1.94 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two Al3+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the twenty-third O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Y3+, and two Al3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Al3+ atoms.

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Materials Data on YbAlNi by Materials Project

YbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are one shorter (2.82 Å) and four longer (2.89 Å) Yb–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.20 Å) Yb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Al atoms. All Ni–Al bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Al atoms. All Ni–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to six equivalent Yb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å.

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