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At least 451 records · Page 25
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DOE OSTI2020

Materials Data on Ce2(Al3Ir)3 by Materials Project

Ce2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are four shorter (3.45 Å) and two longer (3.47 Å) Ce–Ir bond lengths. There are a spread of Ce–Al bond distances ranging from 3.06–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.64 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three Ir, and one Al atom. The Al–Al bond length is 2.81 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ce, three Ir, and five Al atoms. There are one shorter (2.73 Å) and two longer (2.86 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ir, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2(Al3Ir)3 by Materials Project

Y2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Y–Ir bond distances ranging from 3.43–3.47 Å. There are a spread of Y–Al bond distances ranging from 3.06–3.16 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Y and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2(Al3Ir)3 by Materials Project

Dy2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Dy–Ir bond distances ranging from 3.43–3.47 Å. There are a spread of Dy–Al bond distances ranging from 3.05–3.15 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are four shorter (2.57 Å) and four longer (2.62 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on USnIr by Materials Project

UIrSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 11-coordinate geometry to five Ir and six Sn atoms. There are four shorter (3.01 Å) and one longer (3.06 Å) U–Ir bond lengths. There are two shorter (3.17 Å) and four longer (3.36 Å) U–Sn bond lengths. In the second U site, U is bonded in a 11-coordinate geometry to five Ir and six Sn atoms. There are a spread of U–Ir bond distances ranging from 3.00–3.08 Å. There are two shorter (3.17 Å) and four longer (3.36 Å) U–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six U and three Sn atoms. All Ir–Sn bond lengths are 2.80 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to three U and six Sn atoms. All Ir–Sn bond lengths are 2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six U and four Ir atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six U and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2(Al3Ir)3 by Materials Project

Lu2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Lu–Ir bond distances ranging from 3.41–3.45 Å. There are a spread of Lu–Al bond distances ranging from 3.03–3.13 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.55–2.62 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Lu and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Lu and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Lu and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Lu and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Te3Ir2 by Materials Project

Ir2Ge3Te3 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four Ge and two equivalent Te atoms to form IrGe4Te2 octahedra that share corners with six IrGe4Te2 octahedra, corners with four equivalent GeGe2Ir2 tetrahedra, and corners with four equivalent TeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.50 Å) and two longer (2.64 Å) Ir–Ge bond lengths. Both Ir–Te bond lengths are 2.54 Å. In the second Ir site, Ir is bonded to two equivalent Ge and four Te atoms to form IrGe2Te4 octahedra that share corners with six IrGe4Te2 octahedra and corners with eight GeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. Both Ir–Ge bond lengths are 2.65 Å. There are two shorter (2.55 Å) and two longer (2.65 Å) Ir–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to two Ir and two equivalent Ge atoms to form distorted GeGe2Ir2 tetrahedra that share corners with four IrGe4Te2 octahedra, corners with two equivalent TeGe2Ir2 tetrahedra, corners with four GeGe2Ir2 tetrahedra, and an edgeedge with one GeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are one shorter (2.57 Å) and one longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to two equivalent Ir and two equivalent Te atoms to form distorted GeTe2Ir2 tetrahedra that share corners with four equivalent IrGe2Te4 octahedra, corners with six GeGe2Ir2 tetrahedra, and an edgeedge with one GeTe2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are one shorter (2.82 Å) and one longer (2.89 Å) Ge–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to two equivalent Ir and two equivalent Ge atoms to form TeGe2Ir2 tetrahedra that share corners with four equivalent IrGe4Te2 octahedra, corners with two equivalent TeGe2Ir2 tetrahedra, corners with four equivalent GeGe2Ir2 tetrahedra, and an edgeedge with one TeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. In the second Te site, Te is bonded in a 2-coordinate geometry to two Ir and two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.13 Å) Te–Te bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Ir2Se3 by Materials Project

Ir2Sn3Se3 is Spinel-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to three equivalent Sn and three equivalent Se atoms to form IrSn3Se3 octahedra that share corners with six equivalent IrSn3Se3 octahedra, corners with six equivalent SnIr2Se2 tetrahedra, and corners with six equivalent SeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–59°. All Ir–Sn bond lengths are 2.60 Å. All Ir–Se bond lengths are 2.56 Å. In the second Ir site, Ir is bonded to three Sn and three Se atoms to form IrSn3Se3 octahedra that share corners with six IrSn3Se3 octahedra, corners with six SnIr2Se2 tetrahedra, and corners with six SeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Ir–Sn bond distances ranging from 2.59–2.61 Å. There are a spread of Ir–Se bond distances ranging from 2.54–2.59 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to two Ir and two equivalent Se atoms to form distorted SnIr2Se2 tetrahedra that share corners with four equivalent IrSn3Se3 octahedra, corners with four SnIr2Se2 tetrahedra, corners with six SeSn2Ir2 tetrahedra, and an edgeedge with one SnIr2Se2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–72°. There are one shorter (2.75 Å) and one longer (2.92 Å) Sn–Se bond lengths. In the second Sn site, Sn is bonded to two equivalent Ir and two equivalent Se atoms to form distorted SnIr2Se2 tetrahedra that share corners with four IrSn3Se3 octahedra, corners with four SnIr2Se2 tetrahedra, corners with six SeSn2Ir2 tetrahedra, and an edgeedge with one SnIr2Se2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–71°. There are one shorter (2.74 Å) and one longer (2.92 Å) Sn–Se bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded to two equivalent Ir and two equivalent Sn atoms to form SeSn2Ir2 tetrahedra that share corners with four IrSn3Se3 octahedra, corners with four SeSn2Ir2 tetrahedra, corners with six SnIr2Se2 tetrahedra, and an edgeedge with one SeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–75°. In the second Se site, Se is bonded to two Ir and two equivalent Sn atoms to form SeSn2Ir2 tetrahedra that share corners with four equivalent IrSn3Se3 octahedra, corners with four SeSn2Ir2 tetrahedra, corners with six SnIr2Se2 tetrahedra, and an edgeedge with one SeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 67–74°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn7Ir2Os by Materials Project

OsIr2Sn7 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Os is bonded in a 8-coordinate geometry to eight Sn atoms. There are six shorter (2.78 Å) and two longer (2.79 Å) Os–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.79–2.81 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.78–2.83 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Os, one Ir, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.85–3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to three Ir and four Sn atoms. All Sn–Sn bond lengths are 3.12 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to one Os, two Ir, and four Sn atoms. There are one shorter (2.85 Å) and one longer (3.10 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to one Os and three Ir atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to one Os and three Ir atoms. In the sixth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Os and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Ga8Ir3 by Materials Project

Tb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ir and twelve Ga atoms to form distorted face-sharing TbGa12Ir4 cuboctahedra. All Tb–Ir bond lengths are 3.52 Å. All Tb–Ga bond lengths are 3.22 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Tb–Ir bond lengths. There are four shorter (3.06 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.57 Å) and four longer (2.61 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf5Ir3 by Materials Project

Hf5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.71–2.97 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.78–2.96 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.71–2.97 Å. In the fourth Hf site, Hf is bonded in a 5-coordinate geometry to five Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.73–2.93 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Hf atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIr5 by Materials Project

CeIr5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Ir atoms. There are twelve shorter (3.09 Å) and four longer (3.22 Å) Ce–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ce and twelve equivalent Ir atoms to form distorted IrCe4Ir12 tetrahedra that share corners with twelve equivalent IrCe3Ir9 cuboctahedra, faces with twenty-eight equivalent IrCe3Ir9 cuboctahedra, and faces with twelve equivalent IrCe4Ir12 tetrahedra. All Ir–Ir bond lengths are 3.09 Å. In the second Ir site, Ir is bonded to three equivalent Ce and nine Ir atoms to form distorted IrCe3Ir9 cuboctahedra that share corners with eighteen equivalent IrCe3Ir9 cuboctahedra, corners with three equivalent IrCe4Ir12 tetrahedra, edges with six equivalent IrCe3Ir9 cuboctahedra, faces with eighteen equivalent IrCe3Ir9 cuboctahedra, and faces with seven equivalent IrCe4Ir12 tetrahedra. There are three shorter (2.61 Å) and three longer (2.65 Å) Ir–Ir bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2(Al3Ir)3 by Materials Project

Tm2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Tm–Ir bond distances ranging from 3.41–3.45 Å. There are a spread of Tm–Al bond distances ranging from 3.03–3.13 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.55–2.62 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tm and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YLu(BIr)8 by Materials Project

LuY(IrB)8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Ir and twelve B atoms. There are four shorter (2.96 Å) and eight longer (3.20 Å) Lu–Ir bond lengths. There are eight shorter (3.08 Å) and four longer (3.13 Å) Lu–B bond lengths. Y is bonded in a 12-coordinate geometry to twelve Ir and twelve B atoms. There are four shorter (2.98 Å) and eight longer (3.21 Å) Y–Ir bond lengths. There are eight shorter (3.08 Å) and four longer (3.13 Å) Y–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to two equivalent Lu, one Y, and five B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.25 Å. In the second Ir site, Ir is bonded in a 5-coordinate geometry to one Lu, two equivalent Y, and five B atoms. There are four shorter (2.22 Å) and one longer (2.28 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to two equivalent Lu, one Y, five Ir, and one B atom. The B–B bond length is 1.87 Å. In the second B site, B is bonded in a 6-coordinate geometry to one Lu, two equivalent Y, five Ir, and one B atom. The B–B bond length is 1.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2(Al3Ir)3 by Materials Project

Sm2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Sm–Ir bond distances ranging from 3.45–3.49 Å. There are a spread of Sm–Al bond distances ranging from 3.08–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.58–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.58–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sm and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sm and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Ga8Ir3 by Materials Project

Dy3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to four equivalent Ir and twelve Ga atoms. All Dy–Ir bond lengths are 3.49 Å. There are eight shorter (3.21 Å) and four longer (3.22 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (2.95 Å) and two longer (2.99 Å) Dy–Ir bond lengths. There are four shorter (3.03 Å) and four longer (3.18 Å) Dy–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Dy and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.56 Å) and four longer (2.61 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Dy, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.69 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Ga8Ir3 by Materials Project

Yb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and twelve Ga atoms. All Yb–Ir bond lengths are 3.44 Å. There are four shorter (3.20 Å) and eight longer (3.28 Å) Yb–Ga bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.05 Å) and two longer (3.07 Å) Yb–Ir bond lengths. There are four shorter (3.02 Å) and four longer (3.19 Å) Yb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Yb and six Ga atoms. There are two shorter (2.54 Å) and four longer (2.62 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Yb, three Ir, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Yb, one Ir, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Temperature-induced valence-state transition in double perovskite Ba 2 - x Sr x TbIrO 6

In this paper, a temperature-induced valence-state transition is studied in a narrow composition range 0.2 ≤ x ≤ 0.375 of Ba 2 - x Sr x TbIrO 6 by means of x-ray and neutron powder diffraction, resonant inelastic x-ray scattering, magnetic susceptibility, electrical resistivity, and specific heat measurements. The valence-state transition involves an electron transfer between Tb and Ir leading to the valence-state change between Tb 3 + / Ir 5 + and Tb 4 + / Ir 4 + phases. This first-order transition has a dramatic effect on the lattice, transport properties, and the long-range magnetic order at low temperatures for both Tb and Ir ions. Ir 5 + ion has an electronic configuration of 5 d 4 ( J eff = 0 ), which is expected to be nonmagnetic. In contrast, Ir 4 + ion with a configuration of 5 d 5 ( J eff = 1/2) favors a long-range magnetic order. For x = 0.1 with Tb 3 + / Ir 5 + configuration to the lowest temperature (2 K) investigated in this paper, a spin-glass behavior is observed around 5 K indicating Ir 5 + ( J eff = 0 ) ions act as a spacer reducing the magnetic interactions between Tb 3 + ions. For x = 0.5 with Tb 4 + / Ir 4 + configuration below the highest temperature 400 K of this paper, a long-range antiferromagnetic order at T N = 40 K is observed highlighting the importance of Ir 4 + ( J eff = 1/2) ions in promoting the long-range magnetic order of both Tb and Ir ions. For 0.2 ≤ x ≤ 0.375, a temperature-induced valence-state transition from high-temperature Tb 3 + / Ir 5 + phase to low-temperature Tb 4 + / Ir 4 + phase occurs in the temperature range 180 K ≤ T ≤ 325 K and the transition temperature increases with x . The compositional dependence demonstrates the ability to tune the the valence state for a critical region of x that leads to a concurrent change in magnetism and structure. Furthermore, this tuning ability could be employed with suitable strain in thin films to act as a switch as the magnetism is manipulated.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-Field Design Concept for Second Interaction Region of the Electron-Ion Collider

Efficient realization of the scientific potential of the Electron Ion Collider (EIC) calls for addition of a future second Interaction Region (2nd IR) and a detector in the RHIC IR8 region after the EIC project completion. The second IR and detector are needed to independently cross-check the results of the first detector, and to provide measurements with complementary acceptance. The available space in the existing RHIC IR8 and maximum fields achievable with NbTi superconducting magnet technology impose constraints on the 2nd IR performance. Since commissioning of the 2nd IR is envisioned in a few years after the first IR, such a long time frame allows for more R&D on the Nb₃Sn magnet technology. Thus, it could provide a potential alternative technology choice for the 2nd IR magnets. Presently, we are exploring its potential benefits for the 2nd IR performance, such as improvement of the luminosity and acceptance, and are also assessing the technical risks associated with use of Nb₃Sn magnets. In this paper, we present the current progress of this work.

43 PARTICLE ACCELERATORS↗