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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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Materials Data on ErBiRh by Materials Project

ErRhBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Rh and six equivalent Bi atoms. There are one shorter (3.06 Å) and four longer (3.07 Å) Er–Rh bond lengths. There are two shorter (3.24 Å) and four longer (3.35 Å) Er–Bi bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Bi atoms. All Rh–Bi bond lengths are 2.84 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Bi atoms. All Rh–Bi bond lengths are 2.85 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Er and four Rh atoms.

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Materials Data on ErAlCu4 by Materials Project

ErCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.98 Å) and twelve longer (3.27 Å) Er–Cu bond lengths. All Er–Al bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Er, six equivalent Cu, and three equivalent Al atoms to form CuEr3Al3Cu6 cuboctahedra that share corners with nine equivalent AlEr3Cu9 cuboctahedra, corners with twelve equivalent CuEr4Al2Cu6 cuboctahedra, edges with six equivalent CuEr3Al3Cu6 cuboctahedra, faces with three equivalent AlEr3Cu9 cuboctahedra, and faces with twenty CuEr3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. All Cu–Al bond lengths are 2.98 Å. In the second Cu site, Cu is bonded to four equivalent Er, six Cu, and two equivalent Al atoms to form distorted CuEr4Al2Cu6 cuboctahedra that share corners with four equivalent AlEr3Cu9 cuboctahedra, corners with twenty CuEr3Al3Cu6 cuboctahedra, edges with ten equivalent CuEr4Al2Cu6 cuboctahedra, faces with six equivalent AlEr3Cu9 cuboctahedra, and faces with sixteen CuEr3Al3Cu6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.50 Å. Al is bonded to three equivalent Er and nine Cu atoms to form distorted AlEr3Cu9 cuboctahedra that share corners with twenty-one CuEr3Al3Cu6 cuboctahedra, edges with six equivalent AlEr3Cu9 cuboctahedra, faces with two equivalent AlEr3Cu9 cuboctahedra, and faces with twenty-one CuEr3Al3Cu6 cuboctahedra.

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Materials Data on ErSnIr by Materials Project

ErIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (3.00 Å) and one longer (3.05 Å) Er–Ir bond lengths. There are two shorter (3.17 Å) and four longer (3.31 Å) Er–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.76 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Ir atoms.

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Materials Data on Er2Mg by Materials Project

Er2Mg crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Er atoms to form a mixture of distorted corner and face-sharing MgEr8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å. There are four shorter (3.32 Å) and four longer (3.80 Å) Mg–Er bond lengths. Er is bonded in a 8-coordinate geometry to four equivalent Mg and six equivalent Er atoms. There are four shorter (3.34 Å) and two longer (3.38 Å) Er–Er bond lengths.

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Materials Data on LiErSn2 by Materials Project

LiErSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Er and five Sn atoms. All Li–Er bond lengths are 3.37 Å. There are a spread of Li–Sn bond distances ranging from 2.45–2.69 Å. Er is bonded in a 12-coordinate geometry to four equivalent Li and ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.36–3.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to one Li and six equivalent Er atoms. In the second Sn site, Sn is bonded to four equivalent Li and four equivalent Er atoms to form a mixture of distorted face and edge-sharing SnLi4Er4 tetrahedra.

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Materials Data on Sm4(ErS2)11 by Materials Project

Sm4(ErS2)11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with three ErS6 octahedra, edges with two equivalent ErS6 octahedra, and edges with four equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Er–S bond distances ranging from 2.69–2.88 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Er–S bond distances ranging from 2.61–2.77 Å. In the third Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with three equivalent ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, and edges with four ErS6 octahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of Er–S bond distances ranging from 2.64–2.79 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with three equivalent ErS6 octahedra, a cornercorner with one ErS7 pentagonal bipyramid, edges with four equivalent ErS6 octahedra, and edges with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of Er–S bond distances ranging from 2.65–2.76 Å. In the fifth Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Er–S bond distances ranging from 2.63–2.76 Å. In the sixth Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing ErS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.72 Å) and four longer (2.73 Å) Er–S bond lengths. There are two inequivalent Sm+2.75+ sites. In the first Sm+2.75+ site, Sm+2.75+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.02 Å. In the second Sm+2.75+ site, Sm+2.75+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.47 Å. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded to three Er3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Er3 trigonal bipyramids that share corners with four SSm2Er3 trigonal bipyramids, corners with two SSmEr3 trigonal pyramids, edges with six SSm2Er3 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Er3+ and one Sm+2.75+ atom. In the fourth S2- site, S2- is bonded to three Er3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Er3 trigonal bipyramids that share corners with six SSm2Er3 trigonal bipyramids, corners with two equivalent SSmEr3 trigonal pyramids, edges with two equivalent SSm2Er3 square pyramids, edges with four SSm2Er3 trigonal bipyramids, and an edgeedge with one SSmEr3 trigonal pyramid. In the fifth S2- site, S2- is bonded to three Er3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Er3 square pyramids that share corners with two equivalent SSm2Er3 square pyramids, corners with four SSm3Er2 trigonal bipyramids, edges with three SSm2Er3 square pyramids, edges with three SSm2Er3 trigonal bipyramids, and edges with two equivalent SSmEr3 trigonal pyramids. In the sixth S2- site, S2- is bonded to three Er3+ and two equivalent Sm+2.75+ atoms to form distorted SSm2Er3 square pyramids that share corners with four SSm2Er3 square pyramids, corners with two equivalent SSm3Er2 trigonal bipyramids, corners with two equivalent SSmEr3 trigonal pyramids, edges with four SSm2Er3 square pyramids, and edges with three SSm3Er2 trigonal bipyramids. In the seventh S2- site, S2- is bonded to two equivalent Er3+ and three Sm+2.75+ atoms to form distorted SSm3Er2 trigonal bipyramids that share corners with four SSm2Er3 square pyramids, corners with two equivalent SSm2Er3 trigonal bipyramids, corners with four equivalent SEr4 trigonal pyramids, edges with two SSm2Er3 square pyramids, edges with six SSm2Er3 trigonal bipyramids, and edges with three SSmEr3 trigonal pyramids. In the eighth S2- site, S2- is bonded to three Er3+ and one Sm+2.75+ atom to form distorted SSmEr3 trigonal pyramids that share corners with two equivalent SSm2Er3 square pyramids, corners with four SSm2Er3 trigonal bipyramids, corners with five SSmEr3 trigonal pyramids, edges with two equivalent SSm2Er3 square pyramids, and edges with three SSm3Er2 trigonal bipyramids. In the ninth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the tenth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 trigonal pyramids that share corners with five SSm2Er3 trigonal bipyramids, corners with five SSmEr3 trigonal pyramids, edges with three SSm2Er3 trigonal bipyramids, and edges with two equivalent SEr4 trigonal pyramids. In the eleventh S2- site, S2- is bonded to two equivalent Er3+ and three Sm+2.75+ atoms to form distorted SSm3Er2 trigonal bipyramids that share corners with two equivalent SSm2Er3 square pyramids, corners with four SSm2Er3 trigonal bipyramids, a cornercorner with one SSmEr3 trigonal pyramid, edges with two equivalent SSm2Er3 square pyramids, and edges with six SSm2Er3 trigonal bipyramids.

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Materials Data on Er3Lu by Materials Project

LuEr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Er atoms to form LuEr12 cuboctahedra that share corners with six equivalent LuEr12 cuboctahedra, corners with twelve equivalent ErEr8Lu4 cuboctahedra, edges with eighteen equivalent ErEr8Lu4 cuboctahedra, faces with eight equivalent LuEr12 cuboctahedra, and faces with twelve equivalent ErEr8Lu4 cuboctahedra. There are six shorter (3.45 Å) and six longer (3.55 Å) Lu–Er bond lengths. Er is bonded to four equivalent Lu and eight equivalent Er atoms to form ErEr8Lu4 cuboctahedra that share corners with four equivalent LuEr12 cuboctahedra, corners with fourteen equivalent ErEr8Lu4 cuboctahedra, edges with six equivalent LuEr12 cuboctahedra, edges with twelve equivalent ErEr8Lu4 cuboctahedra, faces with four equivalent LuEr12 cuboctahedra, and faces with sixteen equivalent ErEr8Lu4 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.46–3.56 Å.

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