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At least 1,027 records · Page 57
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DOE OSTI2020

Materials Data on LiVIr2 by Materials Project

LiVIr2 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 2.57 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.57 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent V atoms.

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DOE OSTI2020

Materials Data on Ce(BIr)2 by Materials Project

CeIr2B2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.07 Å) and four longer (3.32 Å) Ce–Ir bond lengths. There are two shorter (3.00 Å) and four longer (3.13 Å) Ce–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.19 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Ce and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPIr by Materials Project

BaIrP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to four equivalent Ir and four equivalent P atoms. There are one shorter (3.14 Å) and three longer (3.42 Å) Ba–Ir bond lengths. There are one shorter (3.18 Å) and three longer (3.42 Å) Ba–P bond lengths. Ir is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent P atoms. All Ir–P bond lengths are 2.35 Å. P is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(BIr)4 by Materials Project

La(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight equivalent Ir and twelve equivalent B atoms. There are four shorter (3.19 Å) and four longer (3.29 Å) La–Ir bond lengths. There are a spread of La–B bond distances ranging from 2.94–3.47 Å. Ir is bonded in a 4-coordinate geometry to two equivalent La and four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.17 Å. B is bonded in a 6-coordinate geometry to three equivalent La, four equivalent Ir, and one B atom. The B–B bond length is 1.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2VIr by Materials Project

Ti2VIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Ir atoms. All Ti–V bond lengths are 2.69 Å. All Ti–Ir bond lengths are 2.69 Å. V is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Ir atoms. All V–Ir bond lengths are 3.11 Å. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmLuIr2 by Materials Project

LuTmIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Lu–Ir bond lengths are 2.92 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tm–Ir bond lengths are 2.92 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmDyIr2 by Materials Project

DySmIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Dy–Ir bond lengths are 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmHoIr2 by Materials Project

HoSmIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ho–Ir bond lengths are 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3Ir by Materials Project

Re3Ir is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ir atoms to form ReRe8Ir4 cuboctahedra that share corners with twelve equivalent ReRe8Ir4 cuboctahedra, edges with eight equivalent IrRe12 cuboctahedra, edges with sixteen ReRe8Ir4 cuboctahedra, faces with four equivalent IrRe12 cuboctahedra, and faces with fourteen ReRe8Ir4 cuboctahedra. There are four shorter (2.76 Å) and four longer (2.77 Å) Re–Re bond lengths. All Re–Ir bond lengths are 2.77 Å. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Ir atoms to form ReRe8Ir4 cuboctahedra that share corners with four equivalent ReRe8Ir4 cuboctahedra, corners with eight equivalent IrRe12 cuboctahedra, edges with twenty-four ReRe8Ir4 cuboctahedra, faces with six equivalent IrRe12 cuboctahedra, and faces with twelve ReRe8Ir4 cuboctahedra. All Re–Ir bond lengths are 2.76 Å. Ir is bonded to twelve Re atoms to form IrRe12 cuboctahedra that share corners with four equivalent IrRe12 cuboctahedra, corners with eight equivalent ReRe8Ir4 cuboctahedra, edges with eight equivalent IrRe12 cuboctahedra, edges with sixteen equivalent ReRe8Ir4 cuboctahedra, faces with four equivalent IrRe12 cuboctahedra, and faces with fourteen ReRe8Ir4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6IrCl11 by Materials Project

Pr6IrCl11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to one Ir and seven Cl atoms. The Pr–Ir bond length is 3.05 Å. There are a spread of Pr–Cl bond distances ranging from 2.89–3.24 Å. In the second Pr site, Pr is bonded to one Ir and six Cl atoms to form corner-sharing PrIrCl6 pentagonal bipyramids. The Pr–Ir bond length is 2.61 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.06 Å. Ir is bonded to six Pr atoms to form IrPr6 octahedra that share corners with eight equivalent ClPr4 trigonal pyramids, edges with four equivalent ClPr4 trigonal pyramids, and faces with two equivalent ClPr6 octahedra. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to six Pr atoms to form ClPr6 octahedra that share corners with four equivalent ClPr4 trigonal pyramids, faces with two equivalent IrPr6 octahedra, and faces with four equivalent ClPr4 trigonal pyramids. In the second Cl site, Cl is bonded to four Pr atoms to form ClPr4 trigonal pyramids that share a cornercorner with one ClPr6 octahedra, corners with two equivalent IrPr6 octahedra, corners with three equivalent ClPr4 trigonal pyramids, an edgeedge with one IrPr6 octahedra, edges with two equivalent ClPr4 trigonal pyramids, and a faceface with one ClPr6 octahedra. The corner-sharing octahedra tilt angles range from 23–63°. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Pr atoms. In the fourth Cl site, Cl is bonded in a distorted T-shaped geometry to three Pr atoms.

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Materials Data on LiZr2Ir by Materials Project

LiZr2Ir 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 Zr and six equivalent Ir atoms. All Li–Zr bond lengths are 2.87 Å. All Li–Ir bond lengths are 3.31 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Zr–Ir bond lengths are 2.87 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiHf2Ir by Materials Project

LiHf2Ir 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 Hf and six equivalent Ir atoms. All Li–Hf bond lengths are 2.83 Å. All Li–Ir bond lengths are 3.27 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Hf–Ir bond lengths are 2.83 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Hf atoms.

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DOE OSTI2020

Materials Data on LiTaIr2 by Materials Project

LiTaIr2 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 2.67 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ta–Ir bond lengths are 2.67 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNbIr2 by Materials Project

LiNbIr2 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 2.67 Å. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All Nb–Ir bond lengths are 2.67 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiNpIr2 by Materials Project

LiNpIr2 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 2.78 Å. Np is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Np–Ir bond lengths are 2.78 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Np atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GeIr)2 by Materials Project

SrIr2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Sr–Ir bond lengths are 3.44 Å. All Sr–Ge bond lengths are 3.31 Å. Ir is bonded to four equivalent Sr and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing IrSr4Ge4 tetrahedra. All Ir–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbYIr2 by Materials Project

TbYIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.98 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Y–Ir bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YErIr2 by Materials Project

ErYIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Er–Ir bond lengths are 2.96 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Y–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.

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