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DOE OSTI2020

Materials Data on CeEr3 by Materials Project

Er3Ce is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent Ce atoms to form ErCe4Er8 cuboctahedra that share corners with twelve equivalent ErCe4Er8 cuboctahedra, edges with eight equivalent CeEr12 cuboctahedra, edges with sixteen equivalent ErCe4Er8 cuboctahedra, faces with four equivalent CeEr12 cuboctahedra, and faces with fourteen equivalent ErCe4Er8 cuboctahedra. All Er–Er bond lengths are 3.51 Å. All Er–Ce bond lengths are 3.51 Å. Ce is bonded to twelve equivalent Er atoms to form CeEr12 cuboctahedra that share corners with twelve equivalent CeEr12 cuboctahedra, edges with twenty-four equivalent ErCe4Er8 cuboctahedra, faces with six equivalent CeEr12 cuboctahedra, and faces with twelve equivalent ErCe4Er8 cuboctahedra.

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Materials Data on ErFeNi4 by Materials Project

ErFeNi4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to three equivalent Fe and fifteen Ni atoms. All Er–Fe bond lengths are 2.82 Å. There are three shorter (2.82 Å) and twelve longer (3.13 Å) Er–Ni bond lengths. Fe is bonded to three equivalent Er and nine Ni atoms to form distorted FeEr3Ni9 cuboctahedra that share corners with twenty-one NiEr3Fe3Ni6 cuboctahedra, edges with six equivalent FeEr3Ni9 cuboctahedra, faces with two equivalent FeEr3Ni9 cuboctahedra, and faces with twenty-one NiEr3Fe3Ni6 cuboctahedra. There are six shorter (2.41 Å) and three longer (2.82 Å) Fe–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Er, three equivalent Fe, and six equivalent Ni atoms to form distorted NiEr3Fe3Ni6 cuboctahedra that share corners with nine equivalent FeEr3Ni9 cuboctahedra, corners with twelve equivalent NiEr4Fe2Ni6 cuboctahedra, edges with six equivalent NiEr3Fe3Ni6 cuboctahedra, faces with three equivalent FeEr3Ni9 cuboctahedra, and faces with twenty NiEr3Fe3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.41 Å. In the second Ni site, Ni is bonded to four equivalent Er, two equivalent Fe, and six Ni atoms to form distorted NiEr4Fe2Ni6 cuboctahedra that share corners with four equivalent FeEr3Ni9 cuboctahedra, corners with twenty NiEr3Fe3Ni6 cuboctahedra, edges with ten equivalent NiEr4Fe2Ni6 cuboctahedra, faces with six equivalent FeEr3Ni9 cuboctahedra, and faces with sixteen NiEr3Fe3Ni6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.45 Å) Ni–Ni bond lengths.

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Materials Data on Er5B2(O2F3)3 by Materials Project

Er5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are a spread of Er–O bond distances ranging from 2.33–2.56 Å. There are a spread of Er–F bond distances ranging from 2.20–2.41 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to three O2- and five F1- atoms. There are a spread of Er–O bond distances ranging from 2.31–2.41 Å. There are a spread of Er–F bond distances ranging from 2.22–2.50 Å. In the third Er3+ site, Er3+ is bonded in a 9-coordinate geometry to four O2- and five F1- atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Er–O bond lengths. There are a spread of Er–F bond distances ranging from 2.27–2.66 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Er3+ and one B3+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Er3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Er3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Er3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to three Er3+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Er3+ atoms.

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Materials Data on ErSiNi3 by Materials Project

ErNi3Si crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to twelve Ni and four equivalent Si atoms. There are a spread of Er–Ni bond distances ranging from 2.83–3.22 Å. All Er–Si bond lengths are 2.99 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Er, six Ni, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NiEr4Si2Ni6 cuboctahedra. There are two shorter (2.43 Å) and four longer (2.68 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Er, four equivalent Ni, and one Si atom. The Ni–Si bond length is 2.24 Å. Si is bonded in a 9-coordinate geometry to four equivalent Er and five Ni atoms.

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Materials Data on CeEr by Materials Project

ErCe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded to six equivalent Er and six equivalent Ce atoms to form ErCe6Er6 cuboctahedra that share corners with eighteen equivalent ErCe6Er6 cuboctahedra, edges with six equivalent ErCe6Er6 cuboctahedra, edges with twelve equivalent CeCe6Er6 cuboctahedra, faces with eight equivalent ErCe6Er6 cuboctahedra, and faces with twelve equivalent CeCe6Er6 cuboctahedra. All Er–Er bond lengths are 3.50 Å. All Er–Ce bond lengths are 3.51 Å. Ce is bonded to six equivalent Er and six equivalent Ce atoms to form CeCe6Er6 cuboctahedra that share corners with eighteen equivalent CeCe6Er6 cuboctahedra, edges with six equivalent CeCe6Er6 cuboctahedra, edges with twelve equivalent ErCe6Er6 cuboctahedra, faces with eight equivalent CeCe6Er6 cuboctahedra, and faces with twelve equivalent ErCe6Er6 cuboctahedra. All Ce–Ce bond lengths are 3.50 Å.

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Materials Data on NdEr3 by Materials Project

Er3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent Nd atoms to form ErNd4Er8 cuboctahedra that share corners with twelve equivalent ErNd4Er8 cuboctahedra, edges with eight equivalent NdEr12 cuboctahedra, edges with sixteen equivalent ErNd4Er8 cuboctahedra, faces with four equivalent NdEr12 cuboctahedra, and faces with fourteen equivalent ErNd4Er8 cuboctahedra. All Er–Er bond lengths are 3.55 Å. All Er–Nd bond lengths are 3.55 Å. Nd is bonded to twelve equivalent Er atoms to form NdEr12 cuboctahedra that share corners with twelve equivalent NdEr12 cuboctahedra, edges with twenty-four equivalent ErNd4Er8 cuboctahedra, faces with six equivalent NdEr12 cuboctahedra, and faces with twelve equivalent ErNd4Er8 cuboctahedra.

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Materials Data on Er2(Ga3Rh)3 by Materials Project

Er2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Er–Ga bond distances ranging from 3.01–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.57–2.65 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.56–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Er, two equivalent Rh, and six Ga atoms. There are four shorter (2.75 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Er, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.95 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Er, three Rh, and five Ga atoms. All Ga–Ga bond lengths are 2.81 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.

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Materials Data on ErGa3Os by Materials Project

ErOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Er–Os bond lengths are 3.20 Å. There are eight shorter (2.95 Å) and two longer (3.20 Å) Er–Ga bond lengths. Os is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra, edges with four equivalent GaEr6 octahedra, and faces with eight equivalent OsEr4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Er atoms to form GaEr6 octahedra that share corners with six equivalent GaEr6 octahedra and edges with twelve equivalent OsEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

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Materials Data on ErSnPd by Materials Project

ErPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.02 Å) and one longer (3.09 Å) Er–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.33 Å) Er–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

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Materials Data on Er6Al7Cu16 by Materials Project

Er6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.92 Å) and four longer (3.03 Å) Er–Cu bond lengths. All Er–Al bond lengths are 3.09 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Er, three equivalent Cu, and four Al atoms. All Cu–Cu bond lengths are 2.66 Å. There are one shorter (2.59 Å) and three longer (2.67 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Er, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.68 Å. All Cu–Al bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. In the second Al site, Al is bonded to four equivalent Er and eight Cu atoms to form a mixture of distorted corner and face-sharing AlEr4Cu8 cuboctahedra.

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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.

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Materials Data on Er9Ge4S21 by Materials Project

Er9Ge4S21 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.73–3.39 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.64–3.08 Å. In the third Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.67–2.99 Å. In the fourth Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.64–3.08 Å. In the fifth Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.67–2.97 Å. In the sixth Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.73–3.39 Å. There are four inequivalent Ge+3.75+ sites. In the first Ge+3.75+ site, Ge+3.75+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.25 Å. In the second Ge+3.75+ site, Ge+3.75+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.24 Å) Ge–S bond lengths. In the third Ge+3.75+ site, Ge+3.75+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.49 Å) and three longer (2.60 Å) Ge–S bond lengths. In the fourth Ge+3.75+ site, Ge+3.75+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.49 Å) and three longer (2.60 Å) Ge–S bond lengths. There are fourteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four Er3+ atoms. In the second S2- site, S2- is bonded to three Er3+ and one Ge+3.75+ atom to form a mixture of edge and corner-sharing SEr3Ge trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Ge+3.75+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to four Er3+ atoms. In the fifth S2- site, S2- is bonded to three Er3+ and one Ge+3.75+ atom to form a mixture of edge and corner-sharing SEr3Ge trigonal pyramids. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Ge+3.75+ atom. In the seventh S2- site, S2- is bonded to three Er3+ and one Ge+3.75+ atom to form distorted corner-sharing SEr3Ge tetrahedra. In the eighth S2- site, S2- is bonded to three Er3+ and one Ge+3.75+ atom to form distorted corner-sharing SEr3Ge tetrahedra. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Ge+3.75+ atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Ge+3.75+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge+3.75+ atom. In the twelfth S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Ge+3.75+ atom. In the thirteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge+3.75+ atom. In the fourteenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Er3+ and one Ge+3.75+ atom.

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Materials Data on Er2(Ga3Ru)3 by Materials Project

Er2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Er–Ga bond distances ranging from 3.03–3.16 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.63 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.59 Å) and four longer (2.60 Å) Ru–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Ru, and six Ga atoms. There are four shorter (2.74 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Er, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.95 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Er, three Ru, and five Ga atoms. There are one shorter (2.72 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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Materials Data on Er2PbS4 by Materials Project

Er2PbS4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of Er–S bond distances ranging from 2.70–2.77 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Er–S bond distances ranging from 2.68–2.75 Å. In the third Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–S bond distances ranging from 2.71–2.75 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are a spread of Er–S bond distances ranging from 2.68–2.76 Å. In the fifth Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Er–S bond distances ranging from 2.69–2.77 Å. In the sixth Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–S bond distances ranging from 2.70–2.75 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.86–3.36 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.89–3.38 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.03–3.52 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two Pb2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to three Er3+ and one Pb2+ atom. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two Pb2+ atoms. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Er3+ and one Pb2+ atom. In the eighth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the ninth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the tenth S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms. In the eleventh S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and two Pb2+ atoms. In the twelfth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Pb2+ atoms.

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Materials Data on ErPdPb by Materials Project

ErPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.07 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.25 Å) and four longer (3.37 Å) Er–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.84 Å. Pb is bonded in a distorted q6 geometry to six equivalent Er and four Pd atoms.

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Materials Data on ErZnNi by Materials Project

ErNiZn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ni and six equivalent Zn atoms. There are four shorter (2.81 Å) and one longer (2.89 Å) Er–Ni bond lengths. There are two shorter (3.04 Å) and four longer (3.13 Å) Er–Zn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Zn atoms. All Ni–Zn bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Zn atoms. All Ni–Zn bond lengths are 2.71 Å. Zn is bonded in a 12-coordinate geometry to six equivalent Er, four Ni, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.93 Å.

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Materials Data on ErCoGe2 by Materials Project

ErCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Er–Co bond lengths are 3.16 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.25 Å. Co is bonded in a 5-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.25–2.36 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Er, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Co atoms.

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Materials Data on Er3In by Materials Project

Er3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent In atoms to form distorted ErEr8In4 cuboctahedra that share corners with twelve equivalent ErEr8In4 cuboctahedra, edges with eight equivalent InEr12 cuboctahedra, edges with sixteen equivalent ErEr8In4 cuboctahedra, faces with four equivalent InEr12 cuboctahedra, and faces with fourteen equivalent ErEr8In4 cuboctahedra. All Er–Er bond lengths are 3.39 Å. All Er–In bond lengths are 3.39 Å. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with twelve equivalent InEr12 cuboctahedra, edges with twenty-four equivalent ErEr8In4 cuboctahedra, faces with six equivalent InEr12 cuboctahedra, and faces with twelve equivalent ErEr8In4 cuboctahedra.

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