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At least 613 records · Page 34
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DOE OSTI2020

Materials Data on Th(SiIr)2 by Materials Project

Th(IrSi)2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight Ir and eight equivalent Si atoms. There are four shorter (3.27 Å) and four longer (3.29 Å) Th–Ir bond lengths. There are four shorter (3.27 Å) and four longer (3.29 Å) Th–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and four equivalent Si atoms. All Ir–Si bond lengths are 2.43 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Th and four equivalent Si atoms. All Ir–Si bond lengths are 2.42 Å. Si is bonded in a 4-coordinate geometry to four equivalent Th and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4Ge6Ir7 by Materials Project

Tb4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tb is bonded to six equivalent Ir and six equivalent Ge atoms to form TbGe6Ir6 cuboctahedra that share corners with twelve equivalent TbGe6Ir6 cuboctahedra, faces with six equivalent TbGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Tb–Ir bond lengths are 2.98 Å. All Tb–Ge bond lengths are 3.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent TbGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.68 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er4Ge6Ir7 by Materials Project

Er4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Ir and six equivalent Ge atoms to form ErGe6Ir6 cuboctahedra that share corners with twelve equivalent ErGe6Ir6 cuboctahedra, faces with six equivalent ErGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Er–Ir bond lengths are 2.96 Å. All Er–Ge bond lengths are 3.01 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent ErGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.64 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGaIr by Materials Project

ThIrGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Ir and six equivalent Ga atoms. There are four shorter (3.00 Å) and one longer (3.01 Å) Th–Ir bond lengths. There are two shorter (3.27 Å) and four longer (3.32 Å) Th–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ga atoms. All Ir–Ga bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ir–Ga bond lengths are 2.85 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Th, four Ir, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSnIr by Materials Project

HoIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.02 Å) Ho–Ir bond lengths. There are two shorter (3.19 Å) and four longer (3.29 Å) Ho–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.77 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc4Ge6Ir7 by Materials Project

Sc4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ir and six equivalent Ge atoms to form ScGe6Ir6 cuboctahedra that share corners with twelve equivalent ScGe6Ir6 cuboctahedra, faces with six equivalent ScGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Sc–Ir bond lengths are 2.90 Å. All Sc–Ge bond lengths are 2.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent ScGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSnIr by Materials Project

NdIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.07 Å) and four longer (3.09 Å) Nd–Ir bond lengths. There are two shorter (3.30 Å) and four longer (3.40 Å) Nd–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.82 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.86 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Nd and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Si5Ir3 by Materials Project

Ce2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.00–3.27 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.46 Å) and two longer (2.62 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.36–2.46 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ir+4.67+ atoms. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Ce3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.54 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, three Ir+4.67+, and two equivalent Si4- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnIr by Materials Project

ErIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (3.00 Å) and one longer (3.05 Å) Er–Ir bond lengths. There are two shorter (3.17 Å) and four longer (3.31 Å) Er–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.76 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAlIr by Materials Project

ThIrAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (3.01 Å) and one longer (3.02 Å) Th–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Ir–Al bond lengths are 2.66 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Ir–Al bond lengths are 2.86 Å. Al is bonded in a 4-coordinate geometry to four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Si5Ir3 by Materials Project

Tb2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb3+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.95–3.26 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.46 Å) and two longer (2.59 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.34–2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.54 Å. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Tb3+, three Ir+4.67+, and two equivalent Si4- atoms. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Tb3+ and four equivalent Ir+4.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4Ge6Ir7 by Materials Project

Ho4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to six equivalent Ir and six equivalent Ge atoms to form HoGe6Ir6 cuboctahedra that share corners with twelve equivalent HoGe6Ir6 cuboctahedra, faces with six equivalent HoGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Ho–Ir bond lengths are 2.97 Å. All Ho–Ge bond lengths are 3.02 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent HoGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnIr by Materials Project

YbIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (2.98 Å) and four longer (3.05 Å) Yb–Ir bond lengths. There are two shorter (3.21 Å) and four longer (3.34 Å) Yb–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.82 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.75 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc4Si6Ir7 by Materials Project

Sc4Ir7Si6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ir and six equivalent Si atoms to form ScSi6Ir6 cuboctahedra that share corners with twelve equivalent ScSi6Ir6 cuboctahedra, faces with six equivalent ScSi6Ir6 cuboctahedra, and faces with two equivalent IrSi6 octahedra. All Sc–Ir bond lengths are 2.85 Å. All Sc–Si bond lengths are 2.91 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Si atoms to form IrSi6 octahedra that share faces with eight equivalent ScSi6Ir6 cuboctahedra. All Ir–Si bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Si atoms. All Ir–Si bond lengths are 2.50 Å. Si is bonded in a 9-coordinate geometry to four equivalent Sc and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSnIr by Materials Project

LuIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (2.98 Å) and one longer (3.03 Å) Lu–Ir bond lengths. There are two shorter (3.14 Å) and four longer (3.27 Å) Lu–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.75 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSi2Ir3 by Materials Project

PrIr3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to two equivalent Pr, twelve Ir, and six equivalent Si atoms. Both Pr–Pr bond lengths are 3.65 Å. There are a spread of Pr–Ir bond distances ranging from 3.18–3.56 Å. There are a spread of Pr–Si bond distances ranging from 3.19–3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Si atoms. All Ir–Si bond lengths are 2.49 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Si atoms. There are two shorter (2.45 Å) and two longer (2.46 Å) Ir–Si bond lengths. Si is bonded in a 10-coordinate geometry to three equivalent Pr and six Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSnIr by Materials Project

SmIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (3.05 Å) and four longer (3.07 Å) Sm–Ir bond lengths. There are two shorter (3.27 Å) and four longer (3.37 Å) Sm–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.80 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.84 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Sm and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Si5Ir3 by Materials Project

Y2Ir3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.95–3.26 Å. There are two inequivalent Ir+4.67+ sites. In the first Ir+4.67+ site, Ir+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.46 Å) and two longer (2.59 Å) Ir–Si bond lengths. In the second Ir+4.67+ site, Ir+4.67+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ir–Si bond distances ranging from 2.34–2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Y3+ and four equivalent Ir+4.67+ atoms. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Y3+, three Ir+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, three Ir+4.67+, and two equivalent Si4- atoms.

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