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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdGa2Co by Materials Project

GdCoGa2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 8-coordinate geometry to four equivalent Co and ten Ga atoms. There are a spread of Gd–Co bond distances ranging from 3.09–3.13 Å. There are a spread of Gd–Ga bond distances ranging from 3.11–3.36 Å. In the second Gd site, Gd is bonded in a 8-coordinate geometry to four equivalent Co and ten Ga atoms. There are two shorter (3.10 Å) and two longer (3.11 Å) Gd–Co bond lengths. There are a spread of Gd–Ga bond distances ranging from 3.11–3.36 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to four equivalent Gd and five Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.40–2.47 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to four equivalent Gd and five Ga atoms. There are three shorter (2.40 Å) and two longer (2.47 Å) Co–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six Gd, one Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six Gd, one Co, and two equivalent Ga atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four Gd, four Co, and four equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.86–2.88 Å. In the fourth Ga site, Ga is bonded to four Gd, four Co, and four equivalent Ga atoms to form a mixture of distorted corner and face-sharing GaGd4Ga4Co4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd4Ga16Co3 by Materials Project

Gd4Co3Ga16 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd is bonded to twelve Ga atoms to form GdGa12 cuboctahedra that share corners with eight equivalent GdGa12 cuboctahedra, edges with two equivalent GaGd4Ga8 cuboctahedra, faces with two equivalent GaGd4Ga8 cuboctahedra, faces with five equivalent GdGa12 cuboctahedra, and faces with two equivalent CoGa6 octahedra. There are a spread of Gd–Ga bond distances ranging from 3.01–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six Ga atoms to form CoGa6 octahedra that share corners with eight equivalent GaGd4Ga8 cuboctahedra and faces with eight equivalent GdGa12 cuboctahedra. There are four shorter (2.40 Å) and two longer (2.44 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Gd, one Co, and four Ga atoms. All Ga–Ga bond lengths are 2.82 Å. In the second Ga site, Ga is bonded to four equivalent Gd and eight Ga atoms to form distorted GaGd4Ga8 cuboctahedra that share corners with four equivalent GaGd4Ga8 cuboctahedra, corners with four equivalent CoGa6 octahedra, edges with four equivalent GdGa12 cuboctahedra, a faceface with one GaGd4Ga8 cuboctahedra, and faces with four equivalent GdGa12 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.88 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Co, and four Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, and seven Ga atoms. Both Ga–Gd bond lengths are 3.01 Å. The Ga–Ga bond length is 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2(Ga3Co)3 by Materials Project

Gd2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Gd–Ga bond distances ranging from 2.99–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.53–2.56 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.57 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.82 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Gd, three Co, and five Ga atoms. There are one shorter (2.69 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Gd, three Co, and five Ga atoms. There are one shorter (2.81 Å) and one longer (2.84 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗