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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Th2Co17 by Materials Project

Th2Co17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.01–3.24 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the second Co site, Co is bonded to two equivalent Th and ten Co atoms to form distorted CoTh2Co10 cuboctahedra that share corners with fourteen CoTh2Co10 cuboctahedra, edges with six CoTh3Co9 cuboctahedra, and faces with ten CoTh2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.64 Å. In the fourth Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharing CoTh3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.60 Å. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Th and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.66 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Th and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the seventh Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of corner, edge, and face-sharing CoTh3Co9 cuboctahedra. The Co–Co bond length is 2.47 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCo by Materials Project

ThCo crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to seven equivalent Co atoms. There are a spread of Th–Co bond distances ranging from 2.77–3.14 Å. Co is bonded in a 5-coordinate geometry to seven equivalent Th and two equivalent Co atoms. Both Co–Co bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th7Co3 by Materials Project

Th7Co3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Co atoms. All Th–Co bond lengths are 2.94 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Co atoms. Both Th–Co bond lengths are 2.78 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Co atoms. There are two shorter (2.79 Å) and one longer (2.93 Å) Th–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2Co7 by Materials Project

Th2Co7 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are eight inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the third Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.86–3.31 Å. In the fourth Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.86–3.31 Å. In the fifth Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the sixth Th site, Th is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. In the seventh Th site, Th is bonded in a 9-coordinate geometry to twelve Co atoms. There are a spread of Th–Co bond distances ranging from 2.86–3.32 Å. In the eighth Th site, Th is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 2.87–3.30 Å. There are sixteen inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.45–2.87 Å. In the second Co site, Co is bonded to five Th and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTh5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.62 Å. In the third Co site, Co is bonded to five Th and seven Co atoms to form distorted CoTh5Co7 cuboctahedra that share corners with seventeen CoTh6Co6 cuboctahedra, edges with eight CoTh5Co7 cuboctahedra, and faces with fourteen CoTh6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.63 Å. In the fourth Co site, Co is bonded to four Th and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTh4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.50 Å. In the fifth Co site, Co is bonded to five Th and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTh5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.62 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. There are three shorter (2.45 Å) and three longer (2.49 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. There are three shorter (2.50 Å) and three longer (2.87 Å) Co–Co bond lengths. In the eighth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. All Co–Co bond lengths are 2.87 Å. In the ninth Co site, Co is bonded to four Th and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTh4Co8 cuboctahedra. There are three shorter (2.48 Å) and two longer (2.49 Å) Co–Co bond lengths. In the tenth Co site, Co is bonded to six Th and six Co atoms to form CoTh6Co6 cuboctahedra that share corners with twelve CoTh5Co7 cuboctahedra, edges with six equivalent CoTh6Co6 cuboctahedra, and faces with eighteen CoTh5Co7 cuboctahedra. In the eleventh Co site, Co is bonded to five Th and seven Co atoms to form distorted CoTh5Co7 cuboctahedra that share corners with seventeen CoTh6Co6 cuboctahedra, edges with eight CoTh5Co7 cuboctahedra, and faces with fourteen CoTh6Co6 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.62 Å. In the twelfth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. All Co–Co bond lengths are 2.87 Å. In the thirteenth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. In the fourteenth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms. In the fifteenth Co site, Co is bonded to six Th and six Co atoms to form CoTh6Co6 cuboctahedra that share corners with twelve CoTh5Co7 cuboctahedra, edges with six equivalent CoTh6Co6 cuboctahedra, and faces with eighteen CoTh5Co7 cuboctahedra. In the sixteenth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th and nine Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCo5 by Materials Project

ThCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.85 Å) and twelve longer (3.19 Å) Th–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Th and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoTh3Co9 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.85 Å) Co–Co bond lengths. In the second Co site, Co is bonded to four equivalent Th and eight Co atoms to form CoTh4Co8 cuboctahedra that share corners with twenty-four CoTh3Co9 cuboctahedra, edges with ten equivalent CoTh4Co8 cuboctahedra, and faces with twenty-two CoTh3Co9 cuboctahedra. All Co–Co bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCo2 by Materials Project

ThCo2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to eight equivalent Co atoms to form distorted edge-sharing ThCo8 hexagonal bipyramids. All Th–Co bond lengths are 2.69 Å. Co is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Co atoms. All Co–Co bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThCo5 by Materials Project

ThCo5 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of one ThCo5 sheet oriented in the (0, 0, 1) direction. Th is bonded in a hexagonal planar geometry to six Co atoms. There are two shorter (3.48 Å) and four longer (3.49 Å) Th–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a trigonal planar geometry to three Co atoms. All Co–Co bond lengths are 2.02 Å. In the second Co site, Co is bonded in a square co-planar geometry to two equivalent Th and two equivalent Co atoms. In the third Co site, Co is bonded in a square co-planar geometry to two equivalent Th and two equivalent Co atoms.

36 MATERIALS SCIENCE↗