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At least 1,081 records · Page 60
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DOE OSTI2020

Materials Data on TbErIr2 by Materials Project

ErTbIr2 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. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3(GeIr)4 by Materials Project

Ca3(IrGe)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Ge atoms. All Ca–Ir bond lengths are 3.15 Å. All Ca–Ge bond lengths are 3.14 Å. Ir is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Ge atoms. There are one shorter (2.37 Å) and three longer (2.53 Å) Ir–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on MnAlIr by Materials Project

IrMnAl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Ir atoms to form MnIr4 tetrahedra that share corners with four equivalent AlIr4 tetrahedra, corners with twelve equivalent MnIr4 tetrahedra, and edges with six equivalent AlIr4 tetrahedra. All Mn–Ir bond lengths are 2.56 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Ir–Al bond lengths are 2.56 Å. Al is bonded to four equivalent Ir atoms to form AlIr4 tetrahedra that share corners with four equivalent MnIr4 tetrahedra, corners with twelve equivalent AlIr4 tetrahedra, and edges with six equivalent MnIr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlGaIr2 by Materials Project

Ir2GaAl 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 Ga and four equivalent Al atoms. All Ir–Ga bond lengths are 2.63 Å. All Ir–Al bond lengths are 2.63 Å. Ga 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.

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DOE OSTI2020

Materials Data on HoB2Ir3 by Materials Project

HoIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve equivalent Ir, and six equivalent B atoms. Both Ho–Ho bond lengths are 3.15 Å. All Ho–Ir bond lengths are 3.15 Å. All Ho–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuSiIr2 by Materials Project

Ir2CuSi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ir2CuSi ribbons oriented in the (1, 0, 0) direction. Ir is bonded in a linear geometry to one Cu and one Si atom. The Ir–Cu bond length is 2.48 Å. The Ir–Si bond length is 2.13 Å. Cu 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 TbTmIr2 by Materials Project

TmTbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tm–Ir bond lengths are 2.96 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgMnIr2 by Materials Project

MgMnIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mg–Ir bond lengths are 2.65 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.65 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoErIr2 by Materials Project

ErHoIr2 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 2.95 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ho–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Sn13Ir4 by Materials Project

Ce3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Ce–Ir bond lengths are 3.47 Å. There are eight shorter (3.44 Å) and four longer (3.45 Å) Ce–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ce, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.37 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNdIr2 by Materials Project

NdLaIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Nd–Ir bond lengths are 3.10 Å. La is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All La–Ir bond lengths are 3.10 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Ge13Ir4 by Materials Project

Tm3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Tm–Ir bond lengths are 3.19 Å. There are eight shorter (3.12 Å) and four longer (3.25 Å) Tm–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Tm, two equivalent Ir, and two Ge atoms. There are one shorter (2.62 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Sn13Ir4 by Materials Project

Sr3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Sr–Ir bond lengths are 3.52 Å. There are four shorter (3.50 Å) and eight longer (3.52 Å) Sr–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.72 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sr, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.36 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTmIr2 by Materials Project

TmGdIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tm–Ir bond lengths are 2.96 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Gd–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdHoIr2 by Materials Project

HoGdIr2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one HoGdIr2 ribbon oriented in the (-1, 1, 1) direction. Ho is bonded in a distorted linear geometry to two equivalent Ir atoms. Both Ho–Ir bond lengths are 2.10 Å. Gd is bonded in a distorted linear geometry to two equivalent Ir atoms. Both Gd–Ir bond lengths are 2.09 Å. Ir is bonded in a linear geometry to one Ho and one Gd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ge13Ir4 by Materials Project

Sm3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Sm–Ir bond lengths are 3.22 Å. There are eight shorter (3.17 Å) and four longer (3.26 Å) Sm–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Sm, two equivalent Ir, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.10 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ir4C5 by Materials Project

Ir4C5 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded in a 4-coordinate geometry to eight C+2.40- atoms. There are four shorter (2.10 Å) and four longer (2.63 Å) Ir–C bond lengths. In the second Ir3+ site, Ir3+ is bonded to six C+2.40- atoms to form a mixture of edge and corner-sharing IrC6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are four shorter (2.10 Å) and two longer (2.30 Å) Ir–C bond lengths. In the third Ir3+ site, Ir3+ is bonded to six C+2.40- atoms to form a mixture of face, edge, and corner-sharing IrC6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ir–C bond distances ranging from 2.14–2.20 Å. In the fourth Ir3+ site, Ir3+ is bonded to six C+2.40- atoms to form a mixture of edge and corner-sharing IrC6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ir–C bond distances ranging from 2.05–2.30 Å. In the fifth Ir3+ site, Ir3+ is bonded to six C+2.40- atoms to form a mixture of distorted face, edge, and corner-sharing IrC6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–57°. There are a spread of Ir–C bond distances ranging from 2.11–2.20 Å. There are three inequivalent C+2.40- sites. In the first C+2.40- site, C+2.40- is bonded in a distorted pentagonal planar geometry to five Ir3+ atoms. In the second C+2.40- site, C+2.40- is bonded in a distorted pentagonal planar geometry to five Ir3+ atoms. In the third C+2.40- site, C+2.40- is bonded in a 5-coordinate geometry to five Ir3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Sn13Ir4 by Materials Project

Sm3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Sm–Ir bond lengths are 3.47 Å. There are eight shorter (3.44 Å) and four longer (3.46 Å) Sm–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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