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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErCd2 by Materials Project

ErCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to two equivalent Er and twelve equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing ErEr2Cd12 cuboctahedra. Both Er–Er bond lengths are 3.42 Å. All Er–Cd bond lengths are 3.34 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Er and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.42 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd3 by Materials Project

ErCd3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.19–3.63 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to four equivalent Er and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.02–3.34 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Er and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd by Materials Project

ErCd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Er–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd2 by Materials Project

ErCd2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded to two equivalent Er and six equivalent Cd atoms to form a mixture of distorted edge and corner-sharing ErEr2Cd6 hexagonal bipyramids. Both Er–Er bond lengths are 3.28 Å. There are two shorter (3.24 Å) and four longer (3.26 Å) Er–Cd bond lengths. Cd is bonded in a 3-coordinate geometry to three equivalent Er and five equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.25–3.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd6 by Materials Project

ErCd6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 11-coordinate geometry to seventeen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.29–3.66 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.28–3.69 Å. In the third Er site, Er is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.28–3.62 Å. There are seventeen inequivalent Cd sites. In the first Cd site, Cd is bonded to three Er and nine Cd atoms to form a mixture of face and edge-sharing CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.82–3.22 Å. In the second Cd site, Cd is bonded to two equivalent Er and ten Cd atoms to form distorted CdEr2Cd10 cuboctahedra that share corners with four CdEr2Cd10 cuboctahedra, an edgeedge with one CdEr2Cd10 cuboctahedra, and faces with six CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.91–3.44 Å. In the third Cd site, Cd is bonded to two equivalent Er and ten Cd atoms to form CdEr2Cd10 cuboctahedra that share corners with four CdEr2Cd10 cuboctahedra, an edgeedge with one CdEr2Cd10 cuboctahedra, and faces with six CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.84–3.33 Å. In the fourth Cd site, Cd is bonded to three Er and nine Cd atoms to form a mixture of face and edge-sharing CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.01–3.24 Å. In the fifth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Er and nine Cd atoms. All Cd–Cd bond lengths are 3.03 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to three Er and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.86–3.11 Å. In the seventh Cd site, Cd is bonded to three Er and nine Cd atoms to form a mixture of face and edge-sharing CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.84–3.22 Å. In the eighth Cd site, Cd is bonded in a 10-coordinate geometry to three Er and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.99–3.08 Å. In the ninth Cd site, Cd is bonded in a 10-coordinate geometry to three Er and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.72–3.10 Å. In the tenth Cd site, Cd is bonded in a 10-coordinate geometry to three Er and seven Cd atoms. There are one shorter (2.94 Å) and one longer (2.98 Å) Cd–Cd bond lengths. In the eleventh Cd site, Cd is bonded in a 8-coordinate geometry to one Er and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.69–3.07 Å. In the twelfth Cd site, Cd is bonded in a distorted q6 geometry to three Er and six Cd atoms. There are one shorter (2.92 Å) and two longer (2.98 Å) Cd–Cd bond lengths. In the thirteenth Cd site, Cd is bonded in a 11-coordinate geometry to three Er and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.05 Å. In the fourteenth Cd site, Cd is bonded in a 10-coordinate geometry to three Er and seven Cd atoms. In the fifteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Er and nine Cd atoms. There are one shorter (3.01 Å) and two longer (3.37 Å) Cd–Cd bond lengths. In the sixteenth Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Er and nine Cd atoms. The Cd–Cd bond length is 3.01 Å. In the seventeenth Cd site, Cd is bonded to two equivalent Er and ten Cd atoms to form distorted CdEr2Cd10 cuboctahedra that share corners with four CdEr2Cd10 cuboctahedra, an edgeedge with one CdEr2Cd10 cuboctahedra, and faces with six CdEr3Cd9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er11Cd45 by Materials Project

Er11Cd45 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to fourteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.13–3.39 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.17–3.81 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.25 Å) and twelve longer (3.36 Å) Er–Cd bond lengths. In the fourth Er site, Er is bonded in a 3-coordinate geometry to sixteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.25–3.52 Å. In the fifth Er site, Er is bonded in a 10-coordinate geometry to sixteen Cd atoms. There are a spread of Er–Cd bond distances ranging from 3.13–3.66 Å. There are fourteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 9-coordinate geometry to five Er and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.01–3.12 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cd atoms. All Cd–Cd bond lengths are 3.35 Å. In the third Cd site, Cd is bonded to three Er and nine Cd atoms to form a mixture of distorted edge, corner, and face-sharing CdEr3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.79–3.16 Å. In the fourth Cd site, Cd is bonded in a 8-coordinate geometry to four Er and four Cd atoms. There are two shorter (2.89 Å) and two longer (3.02 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded to four Er and eight Cd atoms to form a mixture of distorted edge, corner, and face-sharing CdEr4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.81–3.32 Å. In the sixth Cd site, Cd is bonded in a 3-coordinate geometry to three Er and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.99–3.28 Å. In the seventh Cd site, Cd is bonded in a 12-coordinate geometry to four Er and eight Cd atoms. Both Cd–Cd bond lengths are 3.21 Å. In the eighth Cd site, Cd is bonded in a 11-coordinate geometry to three equivalent Er and eight Cd atoms. There are one shorter (3.01 Å) and one longer (3.13 Å) Cd–Cd bond lengths. In the ninth Cd site, Cd is bonded in a 11-coordinate geometry to four Er and seven Cd atoms. The Cd–Cd bond length is 3.02 Å. In the tenth Cd site, Cd is bonded in a 12-coordinate geometry to three Er and nine Cd atoms. In the eleventh Cd site, Cd is bonded in a distorted body-centered cubic geometry to four Er and four Cd atoms. In the twelfth Cd site, Cd is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Cd atoms. In the thirteenth Cd site, Cd is bonded in a 11-coordinate geometry to four Er and seven Cd atoms. All Cd–Er bond lengths are 3.45 Å. In the fourteenth Cd site, Cd is bonded in a 11-coordinate geometry to four Er and seven Cd atoms. The Cd–Er bond length is 3.26 Å. There are a spread of Cd–Cd bond distances ranging from 3.06–3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCd2 by Materials Project

ErCd2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded to two equivalent Er and six equivalent Cd atoms to form ErEr2Cd6 hexagonal bipyramids that share corners with two equivalent ErEr2Cd6 hexagonal bipyramids, corners with six equivalent CdEr3Cd5 hexagonal bipyramids, edges with six equivalent ErEr2Cd6 hexagonal bipyramids, and edges with eighteen equivalent CdEr3Cd5 hexagonal bipyramids. Both Er–Er bond lengths are 3.21 Å. All Er–Cd bond lengths are 3.15 Å. Cd is bonded to three equivalent Er and five equivalent Cd atoms to form distorted CdEr3Cd5 hexagonal bipyramids that share corners with three equivalent ErEr2Cd6 hexagonal bipyramids, corners with five equivalent CdEr3Cd5 hexagonal bipyramids, edges with nine equivalent ErEr2Cd6 hexagonal bipyramids, and edges with fifteen equivalent CdEr3Cd5 hexagonal bipyramids. There are three shorter (3.16 Å) and two longer (3.21 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗