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All sourcesNASA NTRSDOE OSTI
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 Sm(SiIr)2 by Materials Project

SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first 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 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four 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 four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSi3Ir by Materials Project

SmIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Si atoms. There are four shorter (3.36 Å) and one longer (3.39 Å) Sm–Ir bond lengths. There are a spread of Sm–Si bond distances ranging from 3.11–3.37 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Sm and five Si atoms. There are one shorter (2.36 Å) and four longer (2.38 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Sm, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.58 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Sm, two equivalent Ir, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
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 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.26 Å. Ir3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ir–Si bond lengths are 2.42 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗