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At least 19 records
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DOE OSTI2020

Materials Data on La(SiIr)2 by Materials Project

La(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.22 Å) and four longer (3.25 Å) La–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. All Ir–Si bond lengths are 2.46 Å. In the second Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.47 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La2+ and five Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent La2+ and four equivalent Ir3+ atoms.

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DOE OSTI2020

Materials Data on Ca3(SiIr)4 by Materials Project

Ca3(IrSi)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 Si atoms. All Ca–Ir bond lengths are 3.07 Å. All Ca–Si bond lengths are 3.06 Å. Ir is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Si atoms. There are one shorter (2.30 Å) and three longer (2.45 Å) Ir–Si bond lengths. Si 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 SiIr by Materials Project

IrSi is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing IrSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of Ir–Si bond distances ranging from 2.43–2.56 Å. Si4- is bonded in a 6-coordinate geometry to six equivalent Ir4+ atoms.

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DOE OSTI2020

Materials Data on Sm(SiIr)2 by Materials Project

SmIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.16 Å. Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Ir3+, and one Si4- atom. The Si–Si bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(SiIr)2 by Materials Project

Ba(IrSi)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Ba–Si bond distances ranging from 3.38–3.53 Å. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing IrSi4 tetrahedra. There are a spread of Ir–Si bond distances ranging from 2.34–2.44 Å. In the second Ir3+ site, Ir3+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing IrSi4 tetrahedra. There are three shorter (2.39 Å) and one longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and four Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and four Ir3+ atoms.

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DOE OSTI2020

Materials Data on U(SiIr)2 by Materials Project

UIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All U–Ir bond lengths are 3.22 Å. All U–Si bond lengths are 3.07 Å. Ir is bonded to four equivalent U and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(SiIr)2 by Materials Project

Gd(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Gd–Ir bond lengths are 3.24 Å. All Gd–Si bond lengths are 3.15 Å. Ir is bonded to four equivalent Gd and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrGd4Si4 tetrahedra. All Ir–Si bond lengths are 2.42 Å. Si is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.46 Å.

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DOE OSTI2020

Materials Data on Eu(SiIr)2 by Materials Project

EuIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Eu–Si bond lengths are 3.19 Å. Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.42 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ir3+, and one Si4- atom. The Si–Si bond length is 2.59 Å.

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DOE OSTI2020

Materials Data on Ce(SiIr)2 by Materials Project

CeIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.16 Å) and four longer (3.29 Å) Ce–Ir bond lengths. There are four shorter (3.19 Å) and four longer (3.20 Å) Ce–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 Ce and five Si atoms. There are one shorter (2.41 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing IrCe4Si4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Ir atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on Np(SiIr)2 by Materials Project

Np(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np is bonded in a 4-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.29 Å) Np–Ir bond lengths. There are four shorter (3.16 Å) and four longer (3.18 Å) Np–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Np and four equivalent Si atoms to form distorted IrNp4Si4 tetrahedra that share corners with twelve equivalent SiNp4Ir4 tetrahedra, edges with two equivalent SiNp4Ir4 tetrahedra, edges with four equivalent IrNp4Si4 tetrahedra, and faces with four equivalent IrNp4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Np and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Np and four equivalent Ir atoms to form distorted SiNp4Ir4 tetrahedra that share corners with twelve equivalent IrNp4Si4 tetrahedra, edges with two equivalent IrNp4Si4 tetrahedra, edges with four equivalent SiNp4Ir4 tetrahedra, and faces with four equivalent SiNp4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Np and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(SiIr)2 by Materials Project

UIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.11 Å) and four longer (3.25 Å) U–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.17 Å) U–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 U and five Si atoms. There are one shorter (2.35 Å) and four longer (2.41 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent U and four equivalent Si atoms to form distorted IrU4Si4 tetrahedra that share corners with twelve equivalent SiU4Ir4 tetrahedra, edges with two equivalent SiU4Ir4 tetrahedra, edges with four equivalent IrU4Si4 tetrahedra, and faces with four equivalent IrU4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent U and five Ir atoms. In the second Si site, Si is bonded to four equivalent U and four equivalent Ir atoms to form distorted SiU4Ir4 tetrahedra that share corners with twelve equivalent IrU4Si4 tetrahedra, edges with two equivalent IrU4Si4 tetrahedra, edges with four equivalent SiU4Ir4 tetrahedra, and faces with four equivalent SiU4Ir4 tetrahedra.

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DOE OSTI2020

Materials Data on La(SiIr)2 by Materials Project

La(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.21 Å. Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four equivalent Ir3+, and one Si4- atom. The Si–Si bond length is 2.63 Å.

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DOE OSTI2020

Materials Data on Y(SiIr)2 by Materials Project

YIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.15 Å) and four longer (3.26 Å) Y–Ir bond lengths. There are four shorter (3.17 Å) and four longer (3.18 Å) Y–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 Y and five Si atoms. There are one shorter (2.37 Å) and four longer (2.43 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Y and four equivalent Si atoms to form distorted IrY4Si4 tetrahedra that share corners with twelve equivalent SiY4Ir4 tetrahedra, edges with two equivalent SiY4Ir4 tetrahedra, edges with four equivalent IrY4Si4 tetrahedra, and faces with four equivalent IrY4Si4 tetrahedra. All Ir–Si bond lengths are 2.44 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Y and four equivalent Ir atoms to form distorted SiY4Ir4 tetrahedra that share corners with twelve equivalent IrY4Si4 tetrahedra, edges with two equivalent IrY4Si4 tetrahedra, edges with four equivalent SiY4Ir4 tetrahedra, and faces with four equivalent SiY4Ir4 tetrahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Y and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(SiIr)2 by Materials Project

Er(IrSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Er–Ir bond lengths are 3.21 Å. All Er–Si bond lengths are 3.12 Å. Ir is bonded to four equivalent Er and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrEr4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.40 Å.

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DOE OSTI2020

Materials Data on Dy(SiIr)2 by Materials Project

DyIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Dy–Ir bond lengths are 3.22 Å. All Dy–Si bond lengths are 3.13 Å. Ir is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing IrDy4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.42 Å.

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DOE OSTI2020

Materials Data on Ce(SiIr)2 by Materials Project

CeIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Ce–Ir bond lengths are 3.26 Å. All Ce–Si bond lengths are 3.15 Å. Ir is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrCe4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(SiIr)2 by Materials Project

YIr2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Si atoms. All Y–Ir bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Ir is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing IrY4Si4 tetrahedra. All Ir–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Ir, and one Si atom. The Si–Si bond length is 2.43 Å.

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DOE OSTI2020

Materials Data on Pu(SiIr)2 by Materials Project

Pu(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.24 Å) Pu–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.18 Å) Pu–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 Pu and five Si atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Pu and four equivalent Si atoms to form distorted IrPu4Si4 tetrahedra that share corners with twelve equivalent SiPu4Ir4 tetrahedra, edges with two equivalent SiPu4Ir4 tetrahedra, edges with four equivalent IrPu4Si4 tetrahedra, and faces with four equivalent IrPu4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pu and five Ir atoms. In the second Si site, Si is bonded to four equivalent Pu and four equivalent Ir atoms to form distorted SiPu4Ir4 tetrahedra that share corners with twelve equivalent IrPu4Si4 tetrahedra, edges with two equivalent IrPu4Si4 tetrahedra, edges with four equivalent SiPu4Ir4 tetrahedra, and faces with four equivalent SiPu4Ir4 tetrahedra.

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