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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm4Ga7Ag5 by Materials Project

Sm4Ag5Ga7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to six Ag and eight Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.07–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.48 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to six Ag and eight Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.26–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.49 Å. In the third Sm site, Sm is bonded in a 11-coordinate geometry to five Ag and nine Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.27–3.50 Å. There are a spread of Sm–Ga bond distances ranging from 3.05–3.47 Å. In the fourth Sm site, Sm is bonded in a 11-coordinate geometry to seven Ag and seven Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.11–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.49 Å. There are five inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.06 Å. There are a spread of Ag–Ga bond distances ranging from 2.73–2.94 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, three Ag, and four Ga atoms. There are one shorter (2.83 Å) and two longer (3.08 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.72–2.93 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, two equivalent Ag, and five Ga atoms. There are a spread of Ag–Ga bond distances ranging from 2.73–2.94 Å. In the fourth Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, four Ag, and three Ga atoms. Both Ag–Ag bond lengths are 2.95 Å. There are a spread of Ag–Ga bond distances ranging from 2.72–2.79 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. There are two shorter (2.66 Å) and one longer (2.79 Å) Ag–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, two Ag, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, three Ag, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, two Ag, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, four Ag, and one Ga atom. The Ga–Ga bond length is 2.79 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on SmGa3Ag by Materials Project

SmAgGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Sm–Ag bond lengths are 3.47 Å. There are eight shorter (3.26 Å) and four longer (3.47 Å) Sm–Ga bond lengths. Ag is bonded to four equivalent Sm and eight Ga atoms to form distorted AgSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ag4 cuboctahedra, corners with twelve equivalent AgSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ag4 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. There are four shorter (2.62 Å) and four longer (3.02 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ga atoms to form GaSm4Ga4Ag4 cuboctahedra that share corners with four equivalent AgSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ag4 cuboctahedra, edges with two equivalent AgSm4Ga8 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. All Ga–Ga bond lengths are 2.62 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, two equivalent Ag, and three Ga atoms. The Ga–Ga bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2GaAg by Materials Project

Sm2AgGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Ga atoms. All Sm–Ag bond lengths are 3.20 Å. All Sm–Ga bond lengths are 3.20 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗