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At least 1,225 records · Page 68
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DOE OSTI2020

Materials Data on MnAlIr2 by Materials Project

MnIr2Al is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.63 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 2.59 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

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DOE OSTI2020

Materials Data on GdLuIr2 by Materials Project

LuGdIr2 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 2.95 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Gd–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Gd atoms.

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Materials Data on Lu3Ge13Ir4 by Materials Project

Lu3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Lu–Ir bond lengths are 3.19 Å. There are eight shorter (3.12 Å) and four longer (3.24 Å) Lu–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Lu, two equivalent Ir, and two Ge atoms. There are one shorter (2.61 Å) and one longer (3.08 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 Er3Ge13Ir4 by Materials Project

Er3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Er–Ir bond lengths are 3.19 Å. There are eight shorter (3.13 Å) and four longer (3.24 Å) Er–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Er, two equivalent Ir, and two Ge atoms. There are one shorter (2.64 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 Pr3Ge13Ir4 by Materials Project

Pr3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Pr–Ir bond lengths are 3.24 Å. There are eight shorter (3.20 Å) and four longer (3.29 Å) Pr–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Pr, two equivalent Ir, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.08 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 Nd3Sn13Ir4 by Materials Project

Nd3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Nd–Ir bond lengths are 3.47 Å. There are eight shorter (3.45 Å) and four longer (3.46 Å) Nd–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Nd 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 Nd, 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 Dy3Ge13Ir4 by Materials Project

Dy3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Dy–Ir bond lengths are 3.20 Å. There are eight shorter (3.14 Å) and four longer (3.25 Å) Dy–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Dy 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 Dy, two equivalent Ir, and two Ge atoms. There are one shorter (2.64 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 Tb(BIr)2 by Materials Project

Tb(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Tb is bonded in a 2-coordinate geometry to eight equivalent Ir and ten equivalent B atoms. There are four shorter (3.06 Å) and four longer (3.22 Å) Tb–Ir bond lengths. There are a spread of Tb–B bond distances ranging from 2.99–3.35 Å. Ir is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.18 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to five equivalent Tb and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ir by Materials Project

Ho3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Ho–Ir bond distances ranging from 2.86–3.23 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.77 Å) and one longer (2.85 Å) Ho–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Ho atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ge3Ir2S3 by Materials Project

Ir2Ge3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Ge and three equivalent S atoms to form corner-sharing IrGe3S3 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. All Ir–Ge bond lengths are 2.52 Å. All Ir–S bond lengths are 2.33 Å. Ge is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Ge atoms. There are one shorter (2.44 Å) and one longer (2.86 Å) Ge–Ge 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 2.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyTmIr2 by Materials Project

TmDyIr2 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 2.95 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Dy–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGe2Ir by Materials Project

LiIrGe2 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 six equivalent Ir and eight equivalent Ge atoms. All Li–Ir bond lengths are 3.08 Å. All Li–Ge bond lengths are 2.67 Å. Ir is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Ge atoms. All Ir–Ge bond lengths are 2.67 Å. Ge is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbHoIr2 by Materials Project

HoTbIr2 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 2.97 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.97 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiTeIr by Materials Project

IrBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir is bonded to three equivalent Bi and three equivalent Te atoms to form IrBi3Te3 octahedra that share corners with twelve equivalent IrBi3Te3 octahedra, corners with three equivalent BiTeIr3 trigonal pyramids, and corners with three equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Ir–Bi bond lengths are 2.77 Å. All Ir–Te bond lengths are 2.70 Å. Bi is bonded to three equivalent Ir and one Te atom to form distorted BiTeIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent BiTeIr3 trigonal pyramids, and corners with nine equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 2.95 Å. Te is bonded to three equivalent Ir and one Bi atom to form distorted TeBiIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent TeBiIr3 trigonal pyramids, and corners with nine equivalent BiTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPrIr2 by Materials Project

PrLaIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Pr–Ir bond lengths are 3.11 Å. La is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All La–Ir bond lengths are 3.11 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6Te2Ir by Materials Project

Sc6IrTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. Both Sc–Ir bond lengths are 2.69 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Ir and four equivalent Te atoms. The Sc–Ir bond length is 3.01 Å. All Sc–Te bond lengths are 3.09 Å. Ir is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbLuIr2 by Materials Project

LuTbIr2 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 2.95 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga2CoIr by Materials Project

IrCoGa2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Co and eight equivalent Ga atoms. All Ir–Co bond lengths are 2.99 Å. All Ir–Ga bond lengths are 2.59 Å. Co is bonded in a distorted body-centered cubic geometry to six equivalent Ir and eight equivalent Ga atoms. All Co–Ga bond lengths are 2.59 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Co atoms.

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