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At least 1,441 records · Page 80
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DOE OSTI2020

Materials Data on Yb2In8Ir by Materials Project

Yb2IrIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with eight equivalent YbIn12 cuboctahedra, edges with twelve InYb4In8 cuboctahedra, faces with five equivalent YbIn12 cuboctahedra, and faces with eight InYb4In8 cuboctahedra. There are a spread of Yb–In bond distances ranging from 3.23–3.32 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.23 Å. In the second In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with eight equivalent InYb4In8 cuboctahedra, edges with four equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with nine InYb4In8 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to four equivalent Yb and eight In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, edges with eight equivalent YbIn12 cuboctahedra, edges with eight equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with twelve InYb4In8 cuboctahedra. All In–In bond lengths are 3.31 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGa5Ir by Materials Project

UIrGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form distorted UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (3.07 Å) U–Ga bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.57 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded to four equivalent U and eight equivalent Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu4Ir by Materials Project

Eu4Ir crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a distorted water-like geometry to two equivalent Ir atoms. There are one shorter (2.86 Å) and one longer (3.24 Å) Eu–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight equivalent Eu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiIrRh by Materials Project

LiIrRh is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms. All Li–Ir bond lengths are 2.39 Å. All Li–Rh bond lengths are 2.39 Å. Ir is bonded to four equivalent Li atoms to form IrLi4 tetrahedra that share corners with four equivalent RhLi4 tetrahedra, corners with twelve equivalent IrLi4 tetrahedra, and edges with six equivalent RhLi4 tetrahedra. Rh is bonded to four equivalent Li atoms to form RhLi4 tetrahedra that share corners with four equivalent IrLi4 tetrahedra, corners with twelve equivalent RhLi4 tetrahedra, and edges with six equivalent IrLi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaIrPb by Materials Project

NaIrPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pb atoms. All Na–Ir bond lengths are 2.81 Å. All Na–Pb bond lengths are 2.81 Å. Ir is bonded to four equivalent Na atoms to form IrNa4 tetrahedra that share corners with four equivalent PbNa4 tetrahedra, corners with twelve equivalent IrNa4 tetrahedra, and edges with six equivalent PbNa4 tetrahedra. Pb is bonded to four equivalent Na atoms to form PbNa4 tetrahedra that share corners with four equivalent IrNa4 tetrahedra, corners with twelve equivalent PbNa4 tetrahedra, and edges with six equivalent IrNa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiTeIr by Materials Project

IrBiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded to four equivalent Bi atoms to form distorted IrBi4 tetrahedra that share corners with four equivalent TeBi4 tetrahedra, corners with twelve equivalent IrBi4 tetrahedra, and edges with six equivalent TeBi4 tetrahedra. All Ir–Bi bond lengths are 2.98 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Te atoms. All Bi–Te bond lengths are 2.98 Å. Te is bonded to four equivalent Bi atoms to form distorted TeBi4 tetrahedra that share corners with four equivalent IrBi4 tetrahedra, corners with twelve equivalent TeBi4 tetrahedra, and edges with six equivalent IrBi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrPbBr by Materials Project

IrPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded to four equivalent Pb atoms to form IrPb4 tetrahedra that share corners with four equivalent BrPb4 tetrahedra, corners with twelve equivalent IrPb4 tetrahedra, and edges with six equivalent BrPb4 tetrahedra. All Ir–Pb bond lengths are 2.97 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Pb–Br bond lengths are 2.97 Å. Br is bonded to four equivalent Pb atoms to form BrPb4 tetrahedra that share corners with four equivalent IrPb4 tetrahedra, corners with twelve equivalent BrPb4 tetrahedra, and edges with six equivalent IrPb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbIn5Ir by Materials Project

YbIrIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve In atoms to form YbIn12 cuboctahedra that share corners with four equivalent YbIn12 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra. There are eight shorter (3.25 Å) and four longer (3.33 Å) Yb–In bond lengths. Ir is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ir–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Ir, and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded to four equivalent Yb and eight equivalent In atoms to form distorted InYb4In8 cuboctahedra that share corners with four equivalent InYb4In8 cuboctahedra, faces with four equivalent YbIn12 cuboctahedra, and faces with four equivalent InYb4In8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2IrC2 by Materials Project

U2IrC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded to five equivalent C atoms to form a mixture of distorted edge and corner-sharing UC5 square pyramids. There are one shorter (2.29 Å) and four longer (2.48 Å) U–C bond lengths. Ir is bonded in a linear geometry to two equivalent C atoms. Both Ir–C bond lengths are 2.13 Å. C is bonded to five equivalent U and one Ir atom to form a mixture of edge and corner-sharing CU5Ir octahedra. The corner-sharing octahedra tilt angles range from 0–14°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5Ir3O11 by Materials Project

Sr5Ir3O11 is (La,Ba)CuO4-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.87 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight IrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.66–3.02 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.87 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.87 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.87 Å. There are three inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six O2- atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are a spread of Ir–O bond distances ranging from 1.99–2.08 Å. In the second Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with five IrO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ir–O bond distances ranging from 1.99–2.06 Å. In the third Ir4+ site, Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with five IrO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Ir–O bond distances ranging from 1.99–2.06 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ir4+ atoms. In the second O2- site, O2- is bonded to five Sr2+ and one Ir4+ atom to form a mixture of distorted corner and edge-sharing OSr5Ir octahedra. The corner-sharing octahedra tilt angles range from 1–9°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ir4+ atoms. In the fourth O2- site, O2- is bonded to five Sr2+ and one Ir4+ atom to form a mixture of distorted corner and edge-sharing OSr5Ir octahedra. The corner-sharing octahedra tilt angles range from 1–9°. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Ir4+ atoms. In the sixth O2- site, O2- is bonded to five Sr2+ and one Ir4+ atom to form a mixture of distorted corner and edge-sharing OSr5Ir octahedra. The corner-sharing octahedra tilt angles range from 1–10°. In the seventh O2- site, O2- is bonded to four equivalent Sr2+ and two Ir4+ atoms to form distorted OSr4Ir2 octahedra that share corners with six OSr5Ir octahedra and edges with four equivalent OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the eighth O2- site, O2- is bonded to five Sr2+ and one Ir4+ atom to form a mixture of distorted corner and edge-sharing OSr5Ir octahedra. The corner-sharing octahedra tilt angles range from 1–10°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2IrPd by Materials Project

Pr2IrPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Pd atoms. All Pr–Ir bond lengths are 3.12 Å. All Pr–Pd bond lengths are 3.12 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2AgIr by Materials Project

Pr2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Pr–Ir bond lengths are 3.17 Å. All Pr–Ag bond lengths are 3.17 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CuIr by Materials Project

Pr2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Pr–Ir bond lengths are 3.11 Å. All Pr–Cu bond lengths are 3.11 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2ZnIr by Materials Project

Pr2IrZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Zn atoms. All Pr–Ir bond lengths are 3.15 Å. All Pr–Zn bond lengths are 3.15 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2CoIr by Materials Project

Ti2IrCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Co atoms. All Ti–Ir bond lengths are 2.65 Å. All Ti–Co bond lengths are 2.65 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Co is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2FeIr by Materials Project

Ti2FeIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Ir atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ir bond lengths are 2.65 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2AgIr by Materials Project

Ac2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Ac–Ir bond lengths are 3.31 Å. All Ac–Ag bond lengths are 3.31 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2CuIr by Materials Project

Ac2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Ac–Ir bond lengths are 3.24 Å. All Ac–Cu bond lengths are 3.24 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.

36 MATERIALS SCIENCE↗