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At least 1,063 records · Page 59
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DOE OSTI2020

Materials Data on MnGaIr by Materials Project

IrMnGa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a 10-coordinate geometry to six equivalent Ir and four equivalent Ga atoms. All Mn–Ir bond lengths are 2.91 Å. All Mn–Ga bond lengths are 2.52 Å. Ir is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.52 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeBIr2 by Materials Project

BeIr2B crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeIr2B ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ir atoms. Both Be–Ir bond lengths are 2.23 Å. Ir is bonded in a linear geometry to one Be and one B atom. The Ir–B bond length is 1.91 Å. B is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAlIr2 by Materials Project

LiIr2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiIr2Al ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ir atoms. Both Li–Ir bond lengths are 2.54 Å. Ir is bonded in a linear geometry to one Li and one Al atom. The Ir–Al bond length is 2.26 Å. Al is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2BIr6 by Materials Project

Zr2Ir6B crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Ir atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent ZrIr12 cuboctahedra, faces with six equivalent ZrIr12 cuboctahedra, and faces with four equivalent BIr6 octahedra. All Zr–Ir bond lengths are 2.88 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Zr and one B atom. The Ir–B bond length is 2.10 Å. B is bonded to six equivalent Ir atoms to form BIr6 octahedra that share faces with eight equivalent ZrIr12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrZnIr2 by Materials Project

ZrIr2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Zr–Ir bond lengths are 2.76 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Zn atoms. All Ir–Zn bond lengths are 2.76 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMnIr2 by Materials Project

LiMnIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiMnIr2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ir atoms. Both Li–Ir bond lengths are 2.67 Å. Mn is bonded in a linear geometry to two equivalent Ir atoms. Both Mn–Ir bond lengths are 2.05 Å. Ir is bonded in a linear geometry to one Li and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ir by Materials Project

Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGdIr2 by Materials Project

GdNdIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Gd–Ir bond lengths are 3.04 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Nd–Ir bond lengths are 3.04 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGaIr2 by Materials Project

LiIr2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiIr2Ga ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Ir atoms. Both Li–Ir bond lengths are 2.62 Å. Ir is bonded in a linear geometry to one Li and one Ga atom. The Ir–Ga bond length is 2.35 Å. Ga is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er16In4Ir4O by Materials Project

Er16Ir4In4O crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent In atoms. All Er–Ir bond lengths are 2.82 Å. All Er–In bond lengths are 3.42 Å. In the second Er site, Er is bonded in a single-bond geometry to two equivalent In and one O atom. Both Er–In bond lengths are 3.19 Å. The Er–O bond length is 2.49 Å. In the third Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent In atoms. Both Er–Ir bond lengths are 2.78 Å. Both Er–In bond lengths are 3.43 Å. Ir is bonded in a 6-coordinate geometry to six Er atoms. In is bonded to nine Er and three equivalent In atoms to form distorted InEr9In3 cuboctahedra that share corners with three equivalent InEr9In3 cuboctahedra, faces with three equivalent InEr9In3 cuboctahedra, and a faceface with one OEr6 octahedra. All In–In bond lengths are 3.19 Å. O is bonded to six equivalent Er atoms to form OEr6 octahedra that share faces with four equivalent InEr9In3 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSbIr by Materials Project

PrIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Sb atoms. There are a spread of Pr–Ir bond distances ranging from 3.11–3.61 Å. There are a spread of Pr–Sb bond distances ranging from 3.25–3.40 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.72–2.80 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr4Ir2N by Materials Project

Zr4Ir2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ir atoms. All Zr–Ir bond lengths are 2.76 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Ir and two equivalent N atoms. Both Zr–Ir bond lengths are 2.84 Å. Both Zr–N bond lengths are 2.33 Å. Ir is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 37°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGeIr by Materials Project

NdIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Ir and six equivalent Ge atoms. There are a spread of Nd–Ir bond distances ranging from 3.01–3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.12–3.24 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.60–2.72 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnSiIr2 by Materials Project

Ir2ZnSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ir2ZnSi ribbons oriented in the (1, 0, 0) direction. Ir is bonded in a linear geometry to one Zn and one Si atom. The Ir–Zn bond length is 2.59 Å. The Ir–Si bond length is 2.16 Å. Zn is bonded in a linear geometry to two equivalent Ir atoms. Si is bonded in a linear geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgNbIr2 by Materials Project

MgNbIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgNbIr2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.69 Å. Nb is bonded in a linear geometry to two equivalent Ir atoms. Both Nb–Ir bond lengths are 2.19 Å. Ir is bonded in a linear geometry to one Mg and one Nb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPmIr2 by Materials Project

PmLaIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Pm–Ir bond lengths are 3.09 Å. La is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All La–Ir bond lengths are 3.09 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMnIr2 by Materials Project

LiMnIr2 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 2.55 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.55 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrO3 by Materials Project

IrO3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ir is bonded to six O atoms to form corner-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of Ir–O bond distances ranging from 1.91–1.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ir atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗