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At least 1,099 records · Page 61
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DOE OSTI2020

Materials Data on La3Ir by Materials Project

La3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.94 Å) and one longer (2.99 Å) La–Ir bond lengths. In the second La site, La is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (3.05 Å) La–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six La atoms.

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DOE OSTI2020

Materials Data on HfGeIr by Materials Project

HfIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Hf–Ir bond distances ranging from 3.00–3.07 Å. There are three shorter (2.82 Å) and two longer (2.86 Å) Hf–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Hf and four equivalent Ge atoms. There are three shorter (2.50 Å) and one longer (2.56 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on MgScIr2 by Materials Project

MgScIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgScIr2 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 2.52 Å. Sc is bonded in a linear geometry to two equivalent Ir atoms. Both Sc–Ir bond lengths are 2.21 Å. Ir is bonded in a linear geometry to one Mg and one Sc atom.

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DOE OSTI2020

Materials Data on PrSmIr2 by Materials Project

SmPrIr2 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 3.07 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Pr–Ir bond lengths are 3.07 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Pr atoms.

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DOE OSTI2020

Materials Data on GdGeIr by Materials Project

GdIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Gd–Ir bond distances ranging from 3.05–3.35 Å. There are a spread of Gd–Ge bond distances ranging from 3.03–3.07 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Ge atoms. There are three shorter (2.58 Å) and one longer (2.65 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on Pr(BIr)2 by Materials Project

Pr(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.09 Å) and four longer (3.32 Å) Pr–Ir bond lengths. There are two shorter (3.05 Å) and four longer (3.16 Å) Pr–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent B atoms. There are two shorter (2.10 Å) and two longer (2.18 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Pr and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on MgMnIr2 by Materials Project

MgMnIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgMnIr2 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 2.54 Å. Mn is bonded in a linear geometry to two equivalent Ir atoms. Both Mn–Ir bond lengths are 2.32 Å. Ir is bonded in a linear geometry to one Mg and one Mn atom.

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DOE OSTI2020

Materials Data on Tm5Ir3 by Materials Project

Tm5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Ir atoms. All Tm–Ir bond lengths are 2.98 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Tm–Ir bond distances ranging from 2.83–3.21 Å. Ir is bonded in a 9-coordinate geometry to nine Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Ir2S3 by Materials Project

Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.

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DOE OSTI2020

Materials Data on Tm(BIr)4 by Materials Project

Tm(IrB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Ir and twelve equivalent B atoms. There are four shorter (2.96 Å) and eight longer (3.21 Å) Tm–Ir bond lengths. There are eight shorter (3.07 Å) and four longer (3.13 Å) Tm–B bond lengths. Ir is bonded in a 5-coordinate geometry to three equivalent Tm and five equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.26 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm, five equivalent Ir, and one B atom. The B–B bond length is 1.86 Å.

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DOE OSTI2020

Materials Data on Eu3(GeIr)4 by Materials Project

Eu3(IrGe)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to four equivalent Ir and four equivalent Ge atoms. All Eu–Ir bond lengths are 3.19 Å. All Eu–Ge bond lengths are 3.17 Å. Ir is bonded in a 4-coordinate geometry to three equivalent Eu and four equivalent Ge atoms. There are one shorter (2.40 Å) and three longer (2.56 Å) Ir–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to three equivalent Eu and four equivalent Ir atoms.

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Materials Data on YSiIr by Materials Project

YIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Y–Ir bond distances ranging from 3.02–3.28 Å. There are a spread of Y–Si bond distances ranging from 2.95–3.02 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.49–2.62 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on LiCrIr2 by Materials Project

LiCrIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiCrIr2 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 2.65 Å. Cr is bonded in a linear geometry to two equivalent Ir atoms. Both Cr–Ir bond lengths are 2.07 Å. Ir is bonded in a linear geometry to one Li and one Cr atom.

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DOE OSTI2020

Materials Data on Pr3Sn13Ir4 by Materials Project

Pr3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Pr–Ir bond lengths are 3.48 Å. All Pr–Sn bond lengths are 3.46 Å. Ir is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Pr, 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.

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DOE OSTI2020

Materials Data on MnBeIr2 by Materials Project

BeMnIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeMnIr2 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 2.10 Å. Mn is bonded in a linear geometry to two equivalent Ir atoms. Both Mn–Ir bond lengths are 2.35 Å. Ir is bonded in a linear geometry to one Be and one Mn atom.

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DOE OSTI2020

Materials Data on Ta2VIr by Materials Project

Ta2VIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ir atoms. All Ta–V bond lengths are 2.75 Å. All Ta–Ir bond lengths are 2.75 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Ir atoms. All V–Ir bond lengths are 3.17 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(BIr)2 by Materials Project

Nd(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.08 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are two shorter (3.04 Å) and four longer (3.15 Å) Nd–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent B atoms. There are two shorter (2.10 Å) and two longer (2.18 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Nd and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaIr by Materials Project

YIrGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to five equivalent Ir and six equivalent Ga atoms. There are a spread of Y–Ir bond distances ranging from 2.88–3.07 Å. There are a spread of Y–Ga bond distances ranging from 3.10–3.23 Å. Ir is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.61–2.68 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ir atoms.

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