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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Materials Data on CeGa4Co9 by Materials Project

CeCo9Ga4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ga atoms. There are eight shorter (3.32 Å) and eight longer (3.36 Å) Ce–Co bond lengths. All Ce–Ga bond lengths are 3.27 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, six Co, and four equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. There are two shorter (2.52 Å) and two longer (2.59 Å) Co–Ga bond lengths. In the second Co site, Co is bonded to eight Co and four equivalent Ga atoms to form a mixture of face and corner-sharing CoGa4Co8 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ga bond lengths are 2.50 Å. In the third Co site, Co is bonded to two equivalent Ce, six Co, and four equivalent Ga atoms to form distorted CoCe2Ga4Co6 cuboctahedra that share corners with eight CoGa4Co8 cuboctahedra, edges with four equivalent CoCe2Ga4Co6 cuboctahedra, and faces with seven CoGa4Co8 cuboctahedra. There are two shorter (2.51 Å) and one longer (2.55 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.39–2.47 Å. Ga is bonded in a 11-coordinate geometry to two equivalent Ce and nine Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Ce8Ga3Co by Materials Project

Ce8CoGa3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.75 Å. There are a spread of Ce–Ga bond distances ranging from 3.03–3.26 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.74 Å. There are a spread of Ce–Ga bond distances ranging from 3.02–3.26 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to one Co and three Ga atoms. The Ce–Co bond length is 2.55 Å. There are one shorter (3.04 Å) and two longer (3.05 Å) Ce–Ga bond lengths. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to one Co and four equivalent Ga atoms. The Ce–Co bond length is 2.86 Å. There are two shorter (3.22 Å) and two longer (3.60 Å) Ce–Ga bond lengths. In the fifth Ce site, Ce is bonded in a 1-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.85 Å. There are a spread of Ce–Ga bond distances ranging from 3.23–3.62 Å. In the sixth Ce site, Ce is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.30–3.33 Å. Co is bonded in a 7-coordinate geometry to seven Ce atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to eleven Ce atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to eleven Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Ce(Ga4Co)2 by Materials Project

Ce(CoGa4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.09–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.31–2.62 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.95 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Ga atoms. All Ga–Ga bond lengths are 2.92 Å. In the third Ga site, Ga is bonded to four equivalent Co and eight Ga atoms to form distorted face-sharing GaGa8Co4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.66–2.92 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–3.05 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and six Ga atoms. There are one shorter (2.78 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.13 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to three Co and eight Ga atoms. Both Ga–Ga bond lengths are 3.05 Å. In the eighth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two Co, and eight Ga atoms. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGaCo by Materials Project

CeCoGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Co and seven equivalent Ga atoms. There are one shorter (2.39 Å) and one longer (2.57 Å) Ce–Co bond lengths. There are a spread of Ce–Ga bond distances ranging from 3.16–3.28 Å. Co is bonded in a 2-coordinate geometry to two equivalent Ce and three equivalent Ga atoms. There are two shorter (2.46 Å) and one longer (2.60 Å) Co–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to seven equivalent Ce, three equivalent Co, and one Ga atom. The Ga–Ga bond length is 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ga2Co15 by Materials Project

Ce2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to fifteen Co and one Ga atom. There are a spread of Ce–Co bond distances ranging from 2.91–3.19 Å. The Ce–Ga bond length is 3.04 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Co and two equivalent Ga atoms to form distorted CoGa2Co8 cuboctahedra that share corners with fourteen CoGa2Co8 cuboctahedra, edges with six CoGa2Co8 cuboctahedra, and faces with four equivalent CoCe3GaCo8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Ce, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.59 Å. Both Co–Ga bond lengths are 2.76 Å. In the third Co site, Co is bonded to three equivalent Ce, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoCe3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. The Co–Ga bond length is 2.61 Å. Ga is bonded in a 7-coordinate geometry to one Ce, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.60 Å.

36 MATERIALS SCIENCE↗