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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Co17 by Materials Project

Er2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.92–3.24 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Er–Co bond distances ranging from 2.88–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Er and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. In the second Co site, Co is bonded to two equivalent Er and ten Co atoms to form CoEr2Co10 cuboctahedra that share corners with fourteen CoEr2Co10 cuboctahedra, edges with six equivalent CoEr3Co9 cuboctahedra, and faces with ten CoEr2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Er and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.53 Å. In the fourth Co site, Co is bonded to three Er and nine Co atoms to form a mixture of distorted edge, face, and corner-sharing CoEr3Co9 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCo5 by Materials Project

ErCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.83 Å) and twelve longer (3.14 Å) Er–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded to four equivalent Er and eight Co atoms to form a mixture of corner, edge, and face-sharing CoEr4Co8 cuboctahedra. All Co–Co bond lengths are 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCo3 by Materials Project

ErCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Er–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Er and seven Co atoms to form a mixture of edge, face, and corner-sharing CoEr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.52 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Er and six equivalent Co atoms to form CoEr6Co6 cuboctahedra that share corners with twelve equivalent CoEr5Co7 cuboctahedra, edges with six equivalent CoEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCo2 by Materials Project

ErCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Er–Co bond lengths are 2.95 Å. Co is bonded to six equivalent Er and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoEr6Co6 cuboctahedra. All Co–Co bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Co7 by Materials Project

Er2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Er–Co bond distances ranging from 2.83–3.08 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the fifth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the sixth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded to four Er and eight Co atoms to form a mixture of corner, edge, and face-sharing CoEr4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.47 Å. In the second Co site, Co is bonded to four Er and eight Co atoms to form a mixture of corner, edge, and face-sharing CoEr4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.47 Å. In the third Co site, Co is bonded to four Er and eight Co atoms to form CoEr4Co8 cuboctahedra that share corners with sixteen CoEr5Co7 cuboctahedra, edges with ten CoEr5Co7 cuboctahedra, and faces with ten CoEr4Co8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six Co atoms. There are three shorter (2.42 Å) and three longer (2.46 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded to five Er and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoEr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.51 Å. In the sixth Co site, Co is bonded to four equivalent Er and eight Co atoms to form CoEr4Co8 cuboctahedra that share corners with sixteen CoEr4Co8 cuboctahedra, edges with ten CoEr4Co8 cuboctahedra, and faces with ten CoEr5Co7 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.47 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six Co atoms. In the eighth Co site, Co is bonded to six equivalent Er and six equivalent Co atoms to form CoEr6Co6 cuboctahedra that share corners with twelve equivalent CoEr5Co7 cuboctahedra, edges with six equivalent CoEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗