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DOE OSTI2020

Materials Data on BaGe3Ir by Materials Project

BaIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are one shorter (3.61 Å) and four longer (3.62 Å) Ba–Ir bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.38–3.48 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.53 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Ir, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Ir, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2Sr(IrO3)3 by Materials Project

Ba2Sr(IrO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six SrO12 cuboctahedra, faces with six BaO12 cuboctahedra, and faces with eight IrO6 octahedra. There are six shorter (2.89 Å) and six longer (3.05 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six IrO6 octahedra, faces with two BaO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with six IrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.89–3.06 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six IrO6 octahedra, faces with three equivalent SrO12 cuboctahedra, faces with five BaO12 cuboctahedra, and faces with six IrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–13°. There are a spread of Ba–O bond distances ranging from 2.89–3.10 Å. In the fourth Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six IrO6 octahedra, faces with three equivalent SrO12 cuboctahedra, faces with five BaO12 cuboctahedra, and faces with six IrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.89–3.10 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with three equivalent BaO12 cuboctahedra, corners with nine SrO12 cuboctahedra, faces with six BaO12 cuboctahedra, and faces with eight IrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.89–3.01 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, corners with six equivalent SrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight IrO6 octahedra. There are six shorter (2.89 Å) and six longer (2.92 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight IrO6 octahedra. There are six shorter (2.89 Å) and six longer (2.98 Å) Sr–O bond lengths. There are six inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with three equivalent BaO12 cuboctahedra, faces with four SrO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.01 Å) and three longer (2.04 Å) Ir–O bond lengths. In the second Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, a faceface with one SrO12 cuboctahedra, faces with six BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.02 Å) and three longer (2.03 Å) Ir–O bond lengths. In the third Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, a faceface with one SrO12 cuboctahedra, faces with six BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.02 Å) and three longer (2.04 Å) Ir–O bond lengths. In the fourth Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with three equivalent BaO12 cuboctahedra, faces with four SrO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.01 Å) and three longer (2.04 Å) Ir–O bond lengths. In the fifth Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with three equivalent SrO12 cuboctahedra, faces with four BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.01 Å) and three longer (2.04 Å) Ir–O bond lengths. In the sixth Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with three equivalent SrO12 cuboctahedra, faces with four BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.02 Å) and three longer (2.04 Å) Ir–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two Ir4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two Sr2+, and two Ir4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to three Ba2+, one Sr2+, and two Ir4+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to three Ba2+, one Sr2+, and two Ir4+ atoms. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to two Ba2+, two equivalent Sr2+, and two Ir4+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Ir4+ atoms.

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Materials Data on SrGe3Ir by Materials Project

SrIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are four shorter (3.55 Å) and one longer (3.58 Å) Sr–Ir bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.32–3.43 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Sr and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Sr, one Ir, and four equivalent Ge atoms.

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Materials Data on CaSi3Ir by Materials Project

CaIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to four equivalent Ir and twelve Si atoms. All Ca–Ir bond lengths are 3.31 Å. There are a spread of Ca–Si bond distances ranging from 3.11–3.33 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Ca and five Si atoms. There are one shorter (2.37 Å) and four longer (2.38 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to four equivalent Ca, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.58 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Ca, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSi3Ir by Materials Project

YIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.33 Å) and one longer (3.40 Å) Y–Ir bond lengths. There are a spread of Y–Si bond distances ranging from 3.08–3.35 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Y and five Si atoms. There are one shorter (2.33 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Y, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Y, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReIr by Materials Project

ReIr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re is bonded to six equivalent Re and six equivalent Ir atoms to form distorted ReRe6Ir6 cuboctahedra that share corners with eighteen equivalent ReRe6Ir6 cuboctahedra, edges with six equivalent ReRe6Ir6 cuboctahedra, edges with twelve equivalent IrRe6Ir6 cuboctahedra, faces with eight equivalent ReRe6Ir6 cuboctahedra, and faces with twelve equivalent IrRe6Ir6 cuboctahedra. All Re–Re bond lengths are 2.78 Å. All Re–Ir bond lengths are 2.73 Å. Ir is bonded to six equivalent Re and six equivalent Ir atoms to form distorted IrRe6Ir6 cuboctahedra that share corners with eighteen equivalent IrRe6Ir6 cuboctahedra, edges with six equivalent IrRe6Ir6 cuboctahedra, edges with twelve equivalent ReRe6Ir6 cuboctahedra, faces with eight equivalent IrRe6Ir6 cuboctahedra, and faces with twelve equivalent ReRe6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
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Materials Data on EuIn4Ir by Materials Project

EuIrIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 5-coordinate geometry to two equivalent Ir and thirteen In atoms. Both Eu–Ir bond lengths are 3.47 Å. There are a spread of Eu–In bond distances ranging from 3.33–3.84 Å. Ir is bonded in a 7-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Ir–In bond distances ranging from 2.69–2.82 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Eu, three equivalent Ir, and one In atom. The In–In bond length is 3.20 Å. In the second In site, In is bonded in a 1-coordinate geometry to three equivalent Eu, one Ir, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Eu and six In atoms.

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Materials Data on Al2CuIr by Materials Project

Al2CuIr crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Ir is bonded in a 12-coordinate geometry to four equivalent Cu and eight Al atoms. All Ir–Cu bond lengths are 2.93 Å. There are five shorter (2.58 Å) and three longer (2.67 Å) Ir–Al bond lengths. Cu is bonded to four equivalent Ir, two equivalent Cu, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing CuAl6Cu2Ir4 cuboctahedra. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.56 Å) and two longer (2.62 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ir and two equivalent Cu atoms. In the second Al site, Al is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSi3Ir by Materials Project

SmIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.36 Å) and one longer (3.39 Å) Sm–Ir bond lengths. There are a spread of Sm–Si bond distances ranging from 3.11–3.37 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Sm and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Sm, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.58 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Sm, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyB4(IrRh)2 by Materials Project

DyB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ir, six equivalent Rh, and twelve B atoms. There are two shorter (2.99 Å) and four longer (3.20 Å) Dy–Ir bond lengths. There are two shorter (2.97 Å) and four longer (3.20 Å) Dy–Rh bond lengths. There are a spread of Dy–B bond distances ranging from 3.05–3.16 Å. Ir is bonded in a 12-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.27 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, three equivalent Ir, two equivalent Rh, and one B atom. The B–B bond length is 1.84 Å. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Ir, three equivalent Rh, and one B atom. The B–B bond length is 1.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ir3Pb by Materials Project

Ir3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded to eight equivalent Ir and four equivalent Pb atoms to form IrIr8Pb4 cuboctahedra that share corners with twelve equivalent IrIr8Pb4 cuboctahedra, edges with eight equivalent PbIr12 cuboctahedra, edges with sixteen equivalent IrIr8Pb4 cuboctahedra, faces with four equivalent PbIr12 cuboctahedra, and faces with fourteen equivalent IrIr8Pb4 cuboctahedra. All Ir–Ir bond lengths are 2.87 Å. All Ir–Pb bond lengths are 2.87 Å. Pb is bonded to twelve equivalent Ir atoms to form PbIr12 cuboctahedra that share corners with twelve equivalent PbIr12 cuboctahedra, edges with twenty-four equivalent IrIr8Pb4 cuboctahedra, faces with six equivalent PbIr12 cuboctahedra, and faces with twelve equivalent IrIr8Pb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe7Ir3 by Materials Project

EuIr3Ge7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Ir and twelve equivalent Ge atoms. All Eu–Ir bond lengths are 3.24 Å. There are six shorter (3.29 Å) and six longer (3.30 Å) Eu–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.53–2.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a trigonal planar geometry to three equivalent Ir and six equivalent Ge atoms. All Ge–Ge bond lengths are 2.89 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Eu, three equivalent Ir, and five Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.79–2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe3Ir by Materials Project

EuIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. All Eu–Ir bond lengths are 3.52 Å. There are a spread of Eu–Ge bond distances ranging from 3.28–3.42 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.40 Å) and four longer (2.47 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Ir, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ir3Rh by Materials Project

Ir3Rh is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded to eight equivalent Ir and four equivalent Rh atoms to form IrIr8Rh4 cuboctahedra that share corners with twelve equivalent IrIr8Rh4 cuboctahedra, edges with eight equivalent RhIr12 cuboctahedra, edges with sixteen equivalent IrIr8Rh4 cuboctahedra, faces with four equivalent RhIr12 cuboctahedra, and faces with fourteen equivalent IrIr8Rh4 cuboctahedra. All Ir–Ir bond lengths are 2.74 Å. All Ir–Rh bond lengths are 2.74 Å. Rh is bonded to twelve equivalent Ir atoms to form RhIr12 cuboctahedra that share corners with twelve equivalent RhIr12 cuboctahedra, edges with twenty-four equivalent IrIr8Rh4 cuboctahedra, faces with six equivalent RhIr12 cuboctahedra, and faces with twelve equivalent IrIr8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSi3Ir by Materials Project

EuIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.38 Å) and one longer (3.45 Å) Eu–Ir bond lengths. There are a spread of Eu–Si bond distances ranging from 3.13–3.38 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Eu and five Si atoms. All Ir–Si bond lengths are 2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Eu, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Eu, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSi3Ir by Materials Project

ThIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. There are one shorter (3.35 Å) and four longer (3.39 Å) Th–Ir bond lengths. There are a spread of Th–Si bond distances ranging from 3.13–3.36 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.38 Å) and four longer (2.40 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrOs by Materials Project

OsIr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Os is bonded to six equivalent Os and six equivalent Ir atoms to form OsIr6Os6 cuboctahedra that share corners with eighteen equivalent OsIr6Os6 cuboctahedra, edges with six equivalent OsIr6Os6 cuboctahedra, edges with twelve equivalent IrIr6Os6 cuboctahedra, faces with eight equivalent OsIr6Os6 cuboctahedra, and faces with twelve equivalent IrIr6Os6 cuboctahedra. All Os–Os bond lengths are 2.76 Å. All Os–Ir bond lengths are 2.71 Å. Ir is bonded to six equivalent Os and six equivalent Ir atoms to form IrIr6Os6 cuboctahedra that share corners with eighteen equivalent IrIr6Os6 cuboctahedra, edges with six equivalent IrIr6Os6 cuboctahedra, edges with twelve equivalent OsIr6Os6 cuboctahedra, faces with eight equivalent IrIr6Os6 cuboctahedra, and faces with twelve equivalent OsIr6Os6 cuboctahedra. All Ir–Ir bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSi3Ir by Materials Project

GdIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.34 Å) and one longer (3.40 Å) Gd–Ir bond lengths. There are a spread of Gd–Si bond distances ranging from 3.09–3.35 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Gd and five Si atoms. There are one shorter (2.35 Å) and four longer (2.37 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Gd, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Gd, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗