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At least 973 records · Page 54
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DOE OSTI2020

Materials Data on TlCuIr by Materials Project

IrCuTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Tl atoms. All Ir–Cu bond lengths are 2.68 Å. All Ir–Tl bond lengths are 2.68 Å. Cu is bonded to four equivalent Ir and six equivalent Tl atoms to form distorted CuTl6Ir4 tetrahedra that share corners with four equivalent TlCu6Ir4 tetrahedra, corners with six equivalent CuTl6Ir4 tetrahedra, edges with six equivalent TlCu6Ir4 tetrahedra, and faces with twelve equivalent CuTl6Ir4 tetrahedra. All Cu–Tl bond lengths are 3.10 Å. Tl is bonded to four equivalent Ir and six equivalent Cu atoms to form distorted TlCu6Ir4 tetrahedra that share corners with four equivalent CuTl6Ir4 tetrahedra, corners with six equivalent TlCu6Ir4 tetrahedra, edges with six equivalent CuTl6Ir4 tetrahedra, and faces with twelve equivalent TlCu6Ir4 tetrahedra.

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DOE OSTI2020

Materials Data on CdIrRu by Materials Project

RuIrCd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Ir and four equivalent Cd atoms. All Ru–Ir bond lengths are 2.63 Å. All Ru–Cd bond lengths are 2.63 Å. Ir is bonded in a distorted q6 geometry to four equivalent Ru and six equivalent Cd atoms. All Ir–Cd bond lengths are 3.04 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ru and six equivalent Ir atoms.

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DOE OSTI2020

Materials Data on CrIrRu by Materials Project

CrRuIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a 4-coordinate geometry to four equivalent Ru and six equivalent Ir atoms. All Cr–Ru bond lengths are 2.53 Å. All Cr–Ir bond lengths are 2.92 Å. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Ir atoms. All Ru–Ir bond lengths are 2.53 Å. Ir is bonded in a distorted q6 geometry to six equivalent Cr and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlTcIr2 by Materials Project

TcIr2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All Tc–Ir bond lengths are 2.80 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Tl atoms. All Ir–Tl bond lengths are 2.80 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuIrBr by Materials Project

IrCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ir is bonded in a 10-coordinate geometry to four equivalent Cu and six equivalent Br atoms. All Ir–Cu bond lengths are 2.60 Å. All Ir–Br bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Br atoms. All Cu–Br bond lengths are 2.60 Å. Br is bonded to six equivalent Ir and four equivalent Cu atoms to form a mixture of distorted face and corner-sharing BrCu4Ir6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaScIr by Materials Project

BaScIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ir atoms. All Ba–Sc bond lengths are 2.96 Å. All Ba–Ir bond lengths are 2.96 Å. Sc is bonded in a 10-coordinate geometry to four equivalent Ba and six equivalent Ir atoms. All Sc–Ir bond lengths are 3.42 Å. Ir is bonded to four equivalent Ba and six equivalent Sc atoms to form a mixture of distorted corner and face-sharing IrBa4Sc6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KBIr2 by Materials Project

KIr2B is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to eight equivalent Ir and six equivalent B atoms. All K–Ir bond lengths are 2.67 Å. All K–B bond lengths are 3.08 Å. Ir is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent B atoms. All Ir–B bond lengths are 2.67 Å. B is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSmIr2 by Materials Project

SmNdIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.06 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Nd–Ir bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmYIr2 by Materials Project

SmYIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.01 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Y–Ir bond lengths are 3.01 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(BIr)2 by Materials Project

Sr(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.10 Å) and four longer (3.36 Å) Sr–Ir bond lengths. There are two shorter (3.09 Å) and four longer (3.18 Å) Sr–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. There are two shorter (2.12 Å) and two longer (2.17 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Sr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScAlIr2 by Materials Project

ScIr2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.71 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Ir–Al bond lengths are 2.71 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSc2Ir by Materials Project

LiSc2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc and six equivalent Ir atoms. All Li–Sc bond lengths are 2.84 Å. All Li–Ir bond lengths are 3.28 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Sc–Ir bond lengths are 2.84 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2CrIr by Materials Project

Ti2CrIr 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 Cr and four equivalent Ir atoms. All Ti–Cr bond lengths are 2.66 Å. All Ti–Ir bond lengths are 2.66 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Ir atoms. All Cr–Ir bond lengths are 3.07 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ti and six equivalent Cr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGeIr2 by Materials Project

LiIr2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir and six equivalent Ge atoms. All Li–Ir bond lengths are 2.57 Å. All Li–Ge bond lengths are 2.97 Å. Ir is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.57 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiBe2Ir by Materials Project

LiBe2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Be and six equivalent Ir atoms. All Li–Be bond lengths are 2.38 Å. All Li–Ir bond lengths are 2.75 Å. Be is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Be–Ir bond lengths are 2.38 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHfIr2 by Materials Project

LiHfIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Li–Ir bond lengths are 2.71 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Hf–Ir bond lengths are 2.71 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlZnIr2 by Materials Project

Ir2ZnAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Al atoms. All Ir–Zn bond lengths are 2.62 Å. All Ir–Al bond lengths are 2.62 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Be3Ir by Materials Project

Be3Ir is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Ir atoms to form distorted BeBe8Ir4 cuboctahedra that share corners with twelve equivalent BeBe8Ir4 cuboctahedra, edges with eight equivalent BeBe8Ir4 cuboctahedra, edges with eight equivalent IrBe12 cuboctahedra, faces with four equivalent IrBe12 cuboctahedra, and faces with ten equivalent BeBe8Ir4 cuboctahedra. There are four shorter (2.32 Å) and four longer (2.45 Å) Be–Be bond lengths. All Be–Ir bond lengths are 2.45 Å. In the second Be site, Be is bonded in a square co-planar geometry to eight equivalent Be and four equivalent Ir atoms. All Be–Ir bond lengths are 2.32 Å. Ir is bonded to twelve Be atoms to form IrBe12 cuboctahedra that share corners with four equivalent IrBe12 cuboctahedra, edges with eight equivalent IrBe12 cuboctahedra, edges with sixteen equivalent BeBe8Ir4 cuboctahedra, faces with four equivalent IrBe12 cuboctahedra, and faces with eight equivalent BeBe8Ir4 cuboctahedra.

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