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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmCoSi2 by Materials Project

SmCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All Sm–Co bond lengths are 3.13 Å. There are a spread of Sm–Si bond distances ranging from 3.06–3.19 Å. Co is bonded in a 9-coordinate geometry to four equivalent Sm and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.25–2.34 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Co atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sm, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(CoSi)2 by Materials Project

SmCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.06 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCo9Si2 by Materials Project

SmCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 3.04–3.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Sm, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.62 Å. All Co–Si bond lengths are 2.55 Å. In the second Co site, Co is bonded to two equivalent Sm, eight Co, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing CoSm2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.64 Å. There are one shorter (2.36 Å) and one longer (2.38 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCoSi3 by Materials Project

SmCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 2.99–3.19 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.24 Å) and four longer (2.26 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to four equivalent Sm3+, two equivalent Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Sm3+, one Co1+, and four equivalent Si+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCoSi by Materials Project

SmCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (2.98 Å) and one longer (3.43 Å) Sm–Si bond lengths. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.33 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗