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DOE OSTI2020

Materials Data on Pr5(Sn5Ir2)2 by Materials Project

Pr5(Ir2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Sn atoms. All Pr–Ir bond lengths are 3.51 Å. There are eight shorter (3.30 Å) and four longer (3.57 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Ir and eight Sn atoms to form distorted face-sharing PrSn8Ir4 cuboctahedra. All Pr–Ir bond lengths are 3.35 Å. There are a spread of Pr–Sn bond distances ranging from 3.18–3.37 Å. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Ir and ten Sn atoms. All Pr–Ir bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.55–3.62 Å. Ir is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.65–2.75 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 2.79 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Pr, two equivalent Ir, and three Sn atoms. There are one shorter (2.94 Å) and two longer (3.31 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Pr, two equivalent Ir, and two equivalent Sn atoms.

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Materials Data on Sr2(AsIr)3 by Materials Project

Sr2(IrAs)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Sr2(IrAs)3 ribbon oriented in the (0, 0, 1) direction. Sr is bonded in a linear geometry to one Ir and one As atom. The Sr–Ir bond length is 2.92 Å. The Sr–As bond length is 2.91 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to one Sr and one As atom. The Ir–As bond length is 2.23 Å. In the second Ir site, Ir is bonded in a linear geometry to two equivalent As atoms. Both Ir–As bond lengths are 2.25 Å. There are two inequivalent As sites. In the first As site, As is bonded in a linear geometry to one Sr and one Ir atom. In the second As site, As is bonded in a linear geometry to two equivalent Ir atoms.

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Materials Data on VIr by Materials Project

IrV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to four equivalent V and eight Ir atoms to form distorted VV4Ir8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra, and faces with two equivalent VV4Ir8 cuboctahedra. All V–V bond lengths are 2.61 Å. There are four shorter (2.65 Å) and four longer (2.80 Å) V–Ir bond lengths. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are four shorter (2.57 Å) and four longer (2.65 Å) V–Ir bond lengths. In the third V site, V is bonded in a 8-coordinate geometry to two equivalent V and eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.60–2.74 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to eight V atoms to form distorted IrV8 cuboctahedra that share corners with four equivalent VV4Ir8 cuboctahedra, corners with eight equivalent IrV8 cuboctahedra, edges with two equivalent VV4Ir8 cuboctahedra, edges with four equivalent IrV8 cuboctahedra, and faces with two equivalent IrV8 cuboctahedra. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms.

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Materials Data on Nd2(Al3Ir)3 by Materials Project

Nd2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Nd–Al bond distances ranging from 3.09–3.19 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.60–2.64 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.60–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Nd and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Ir atoms.

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Materials Data on Y2(Ga3Ir)3 by Materials Project

Y2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.02–3.17 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 2.58–2.66 Å. In the second 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 2.57–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ir, and six Ga atoms. There are four shorter (2.75 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Y, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.96 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, three Ir, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on La(AsIr)2 by Materials Project

LaIr2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight Ir and eight As atoms. There are four shorter (3.32 Å) and four longer (3.37 Å) La–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.30 Å) La–As bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent As atoms. All Ir–As bond lengths are 2.58 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent La and five As atoms. There are one shorter (2.47 Å) and four longer (2.48 Å) Ir–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms.

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Materials Data on U(GeIr)2 by Materials Project

UIr2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.18 Å) and four longer (3.36 Å) U–Ir bond lengths. There are four shorter (3.23 Å) and four longer (3.24 Å) U–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent U and four equivalent Ge atoms to form distorted IrU4Ge4 tetrahedra that share corners with twelve equivalent GeU4Ir4 tetrahedra, edges with two equivalent GeU4Ir4 tetrahedra, edges with four equivalent IrU4Ge4 tetrahedra, and faces with four equivalent IrU4Ge4 tetrahedra. All Ir–Ge bond lengths are 2.50 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent U and five Ge atoms. There are one shorter (2.40 Å) and four longer (2.49 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent U and four equivalent Ir atoms to form distorted GeU4Ir4 tetrahedra that share corners with twelve equivalent IrU4Ge4 tetrahedra, edges with two equivalent IrU4Ge4 tetrahedra, edges with four equivalent GeU4Ir4 tetrahedra, and faces with four equivalent GeU4Ir4 tetrahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U and five Ir atoms.

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Materials Data on Hf6Al16Ir7 by Materials Project

Hf6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Hf, four equivalent Ir, and eight Al atoms. All Hf–Hf bond lengths are 3.24 Å. All Hf–Ir bond lengths are 3.18 Å. There are four shorter (2.85 Å) and four longer (3.18 Å) Hf–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Hf and eight Al atoms to form distorted IrHf4Al8 cuboctahedra that share corners with four equivalent IrHf4Al8 cuboctahedra, corners with eight equivalent AlHf3Ir4 tetrahedra, edges with four equivalent AlHf3Ir4 tetrahedra, and faces with eight equivalent IrHf4Al8 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.71 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Hf and four Ir atoms to form distorted AlHf3Ir4 tetrahedra that share corners with six equivalent IrHf4Al8 cuboctahedra, corners with seven equivalent AlHf3Ir4 tetrahedra, edges with three equivalent IrHf4Al8 cuboctahedra, edges with three equivalent AlHf3Ir4 tetrahedra, and faces with three equivalent AlHf3Ir4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Hf and three equivalent Ir atoms.

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Materials Data on Gd2(Ga3Ir)3 by Materials Project

Gd2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Gd–Ga bond distances ranging from 3.04–3.15 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 2.59–2.65 Å. In the second 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 2.57–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Gd, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.79–2.94 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, three Ir, and five Ga atoms. There are one shorter (2.78 Å) and two longer (2.85 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.

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Materials Data on Pr2(GeIr)3 by Materials Project

Pr2(IrGe)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Pr2(IrGe)3 ribbon oriented in the (0, 0, 1) direction. Pr is bonded in a linear geometry to one Ir and one Ge atom. The Pr–Ir bond length is 2.32 Å. The Pr–Ge bond length is 2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a linear geometry to one Pr and one Ge atom. The Ir–Ge bond length is 2.31 Å. In the second Ir site, Ir is bonded in a linear geometry to two equivalent Ge atoms. Both Ir–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a linear geometry to one Pr and one Ir atom. In the second Ge site, Ge is bonded in a linear geometry to two equivalent Ir atoms.

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Materials Data on NbIr3 by Materials Project

Ir3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded to twelve Ir atoms to form NbIr12 cuboctahedra that share corners with six equivalent NbIr12 cuboctahedra, corners with twelve IrNb4Ir8 cuboctahedra, edges with eighteen IrNb4Ir8 cuboctahedra, faces with eight equivalent NbIr12 cuboctahedra, and faces with twelve IrNb4Ir8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.80 Å) Nb–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Nb and eight Ir atoms to form distorted IrNb4Ir8 cuboctahedra that share corners with four equivalent NbIr12 cuboctahedra, corners with fourteen IrNb4Ir8 cuboctahedra, edges with six equivalent NbIr12 cuboctahedra, edges with twelve IrNb4Ir8 cuboctahedra, faces with four equivalent NbIr12 cuboctahedra, and faces with sixteen IrNb4Ir8 cuboctahedra. There are six shorter (2.75 Å) and two longer (2.84 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded to four equivalent Nb and eight equivalent Ir atoms to form distorted IrNb4Ir8 cuboctahedra that share corners with four equivalent NbIr12 cuboctahedra, corners with fourteen IrNb4Ir8 cuboctahedra, edges with six equivalent NbIr12 cuboctahedra, edges with twelve equivalent IrNb4Ir8 cuboctahedra, faces with four equivalent NbIr12 cuboctahedra, and faces with sixteen IrNb4Ir8 cuboctahedra.

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Materials Data on Tm2(Ga3Ir)3 by Materials Project

Tm2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Tm–Ga bond distances ranging from 2.99–3.15 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 2.56–2.66 Å. In the second 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 2.55–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, two equivalent Ir, and six Ga atoms. There are four shorter (2.73 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Tm, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.94 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Tm, three Ir, and five Ga atoms. There are two shorter (2.79 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Tm, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.72 Å.

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Materials Data on Er2(Ga3Ir)3 by Materials Project

Er2(IrGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Er–Ga bond distances ranging from 3.00–3.15 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 2.57–2.66 Å. In the second 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 2.56–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Ir, and six Ga atoms. There are four shorter (2.74 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Er, three Ir, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.94 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Er, three Ir, and five Ga atoms. There are two shorter (2.80 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Ir, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Th(SiIr)2 by Materials Project

Th(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) Th–Ir bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) Th–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Th and four equivalent Si atoms to form distorted IrTh4Si4 tetrahedra that share corners with twelve equivalent SiTh4Ir4 tetrahedra, edges with two equivalent SiTh4Ir4 tetrahedra, edges with four equivalent IrTh4Si4 tetrahedra, and faces with four equivalent IrTh4Si4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and five Si atoms. There are one shorter (2.42 Å) and four longer (2.45 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Th and four equivalent Ir atoms to form distorted SiTh4Ir4 tetrahedra that share corners with twelve equivalent IrTh4Si4 tetrahedra, edges with two equivalent IrTh4Si4 tetrahedra, edges with four equivalent SiTh4Ir4 tetrahedra, and faces with four equivalent SiTh4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Th and five Ir atoms.

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Materials Data on Pr(GeIr)2 by Materials Project

PrIr2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.27 Å) and four longer (3.36 Å) Pr–Ir bond lengths. There are four shorter (3.28 Å) and four longer (3.31 Å) Pr–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.51 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Ir atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ir atoms.

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Materials Data on Ti6Al16Ir7 by Materials Project

Ti6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Ir, and eight Al atoms. All Ti–Ti bond lengths are 3.08 Å. All Ti–Ir bond lengths are 3.16 Å. There are four shorter (2.71 Å) and four longer (3.20 Å) Ti–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.49 Å) and four longer (2.66 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ti and three equivalent Ir atoms. In the second Al site, Al is bonded to three equivalent Ti and four Ir atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Ir4 tetrahedra.

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Materials Data on Dy5(Ge5Ir2)2 by Materials Project

Dy5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Dy–Ir bond lengths are 3.22 Å. There are eight shorter (2.99 Å) and four longer (3.36 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to four equivalent Ir and eight Ge atoms to form face-sharing DyGe8Ir4 cuboctahedra. All Dy–Ir bond lengths are 3.13 Å. There are a spread of Dy–Ge bond distances ranging from 2.94–3.09 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Dy–Ir bond lengths are 3.34 Å. There are a spread of Dy–Ge bond distances ranging from 3.29–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Dy, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.90 Å.

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Materials Data on Pr2(Al3Ir)3 by Materials Project

Pr2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Pr–Al bond distances ranging from 3.10–3.19 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.61–2.64 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.61–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ir, and six Al atoms. There are two shorter (2.75 Å) and four longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr, three Ir, and one Al atom. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Pr and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ir, and one Al atom.

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