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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on CeGa3Ag by Materials Project

CeAgGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Ce–Ag bond lengths are 3.47 Å. There are eight shorter (3.31 Å) and four longer (3.47 Å) Ce–Ga bond lengths. Ag is bonded to four equivalent Ce and eight Ga atoms to form distorted AgCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Ag4 cuboctahedra, corners with twelve equivalent AgCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Ag4 cuboctahedra, faces with four equivalent AgCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ag4 cuboctahedra. There are four shorter (2.63 Å) and four longer (3.07 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Ag, and three Ga atoms. There are one shorter (2.45 Å) and two longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Ag, and four equivalent Ga atoms to form GaCe4Ga4Ag4 cuboctahedra that share corners with four equivalent AgCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Ag4 cuboctahedra, edges with two equivalent AgCe4Ga8 cuboctahedra, faces with four equivalent AgCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Ag4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Materials Data on CeGaAg by Materials Project

CeAgGa crystallizes in the orthorhombic Pma2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.11–3.48 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.36 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.12–3.48 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.37 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Ce, three Ag, and one Ga atom. There are two shorter (2.73 Å) and one longer (2.75 Å) Ag–Ag bond lengths. The Ag–Ga bond length is 2.87 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Ce, three Ag, and one Ga atom. Both Ag–Ag bond lengths are 2.73 Å. The Ag–Ga bond length is 2.85 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Ag, and three Ga atoms. There are one shorter (2.66 Å) and two longer (2.68 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Ag, and three Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaAg by Materials Project

CeAgGa crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Ag bond lengths. There are two shorter (3.26 Å) and four longer (3.36 Å) Ce–Ga bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. All Ce–Ag bond lengths are 3.30 Å. There are four shorter (3.15 Å) and two longer (3.26 Å) Ce–Ga bond lengths. Ag is bonded in a 10-coordinate geometry to six Ce, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 3.04 Å. There are two shorter (2.69 Å) and one longer (2.72 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six Ce, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaAg by Materials Project

CeAgGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.13–3.39 Å. There are a spread of Ce–Ga bond distances ranging from 3.20–3.36 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Ce, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 2.83 Å. There are two shorter (2.69 Å) and one longer (2.94 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Ce, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.56 Å.

36 MATERIALS SCIENCE↗