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Materials Data on ErWBrO4 by Materials Project

ErWO4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to four O2- and three Br1- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.44 Å. There are two shorter (2.90 Å) and one longer (2.91 Å) Er–Br bond lengths. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to six O2- and one Br1- atom. There are a spread of Er–O bond distances ranging from 2.24–2.41 Å. The Er–Br bond length is 3.04 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.86 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one W6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Er3+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two Er3+ atoms.

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Materials Data on Er4MnS7 by Materials Project

Er4MnS7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four 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 four ErS6 octahedra, corners with four equivalent MnS6 octahedra, an edgeedge with one MnS6 octahedra, edges with three equivalent ErS6 octahedra, edges with two equivalent ErS7 pentagonal bipyramids, and faces with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 21–73°. There are a spread of Er–S bond distances ranging from 2.70–3.01 Å. In the second Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with two equivalent MnS6 octahedra, corners with six ErS6 octahedra, edges with four ErS6 octahedra, edges with two equivalent ErS7 pentagonal bipyramids, and faces with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–68°. There are a spread of Er–S bond distances ranging from 2.68–2.95 Å. In the third Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent MnS6 octahedra, corners with six ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with three equivalent MnS6 octahedra, and an edgeedge with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 3–53°. There are a spread of Er–S bond distances ranging from 2.66–2.75 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one ErS6 octahedra, a cornercorner with one MnS6 octahedra, corners with four ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, and edges with six ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Er–S bond distances ranging from 2.65–2.70 Å. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with three ErS6 octahedra, corners with six ErS7 pentagonal bipyramids, edges with two equivalent MnS6 octahedra, edges with three equivalent ErS6 octahedra, and an edgeedge with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 3–55°. There are a spread of Mn–S bond distances ranging from 2.55–2.72 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to three Er3+ and one Mn2+ atom to form distorted SEr3Mn tetrahedra that share corners with three SEr3Mn tetrahedra, corners with nine SEr5 trigonal bipyramids, and edges with four SEr5 trigonal bipyramids. In the second S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 tetrahedra that share corners with three SEr3Mn tetrahedra, corners with nine SEr5 trigonal bipyramids, and edges with four SEr5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with four equivalent SEr3Mn tetrahedra, corners with six SEr5 trigonal bipyramids, edges with three SEr3Mn tetrahedra, and edges with six SEr5 trigonal bipyramids. In the fourth S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with four equivalent SEr4 tetrahedra, corners with six SEr5 trigonal bipyramids, edges with three SEr3Mn tetrahedra, and edges with six SEr5 trigonal bipyramids. In the fifth S2- site, S2- is bonded to four Er3+ and one Mn2+ atom to form distorted SEr4Mn trigonal bipyramids that share corners with five SEr3Mn tetrahedra, corners with four SEr5 trigonal bipyramids, an edgeedge with one SEr4 tetrahedra, and edges with five SEr5 trigonal bipyramids. In the sixth S2- site, S2- is bonded to three Er3+ and two equivalent Mn2+ atoms to form distorted SEr3Mn2 trigonal bipyramids that share corners with five SEr3Mn tetrahedra, corners with four SEr5 trigonal bipyramids, an edgeedge with one SEr3Mn tetrahedra, and edges with five SEr5 trigonal bipyramids. In the seventh S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Er3+ and two equivalent Mn2+ atoms.

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Materials Data on ErMgIn by Materials Project

MgErIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four In atoms to form a mixture of distorted corner and edge-sharing MgIn4 tetrahedra. There are two shorter (2.90 Å) and two longer (2.96 Å) Mg–In bond lengths. Er is bonded in a 5-coordinate geometry to five In atoms. There are one shorter (3.20 Å) and four longer (3.22 Å) Er–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Er atoms. In the second In site, In is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Er atoms.

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Materials Data on CeErS3 by Materials Project

ErCeS3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four 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 octahedral tilt angles are 63°. There are a spread of Er–S bond distances ranging from 2.62–2.76 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 octahedral tilt angles are 63°. There are a spread of Er–S bond distances ranging from 2.64–2.77 Å. In the third Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted face, edge, and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.72–2.95 Å. In the fourth Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted face, edge, and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.70–2.95 Å. There are four inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.87–2.98 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.81–3.31 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.87–2.95 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.86–3.11 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Er3+ and three equivalent Ce3+ atoms to form distorted SCe3Er2 trigonal bipyramids that share corners with six SCe4Er square pyramids, corners with two equivalent SCe2Er2 tetrahedra, corners with two equivalent SCe2Er2 trigonal pyramids, edges with four SCe4Er square pyramids, edges with four equivalent SCe3Er2 trigonal bipyramids, and an edgeedge with one SCe2Er2 trigonal pyramid. In the second S2- site, S2- is bonded to two equivalent Er3+ and two Ce3+ atoms to form distorted SCe2Er2 trigonal pyramids that share corners with two equivalent SCe4Er square pyramids, corners with two equivalent SCe2Er2 tetrahedra, corners with six SCe3Er2 trigonal bipyramids, corners with two equivalent SCe2Er2 trigonal pyramids, edges with two equivalent SCe4Er square pyramids, and edges with three SCe3Er2 trigonal bipyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two Ce3+ atoms. In the fourth S2- site, S2- is bonded to four Er3+ and one Ce3+ atom to form distorted SCeEr4 trigonal bipyramids that share corners with two equivalent SCe2Er2 tetrahedra, corners with six SCe2Er3 trigonal bipyramids, edges with two equivalent SCe4Er square pyramids, and edges with five SCeEr4 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Ce3+ atoms to form distorted SCe2Er3 trigonal bipyramids that share corners with four equivalent SCe4Er square pyramids, corners with six SCeEr4 trigonal bipyramids, corners with two equivalent SCe2Er2 trigonal pyramids, edges with six SCe2Er3 trigonal bipyramids, and a faceface with one SCe4Er square pyramid. In the sixth S2- site, S2- is bonded to one Er3+ and four Ce3+ atoms to form distorted SCe4Er square pyramids that share corners with two equivalent SCe2Er3 square pyramids, a cornercorner with one SCe2Er2 tetrahedra, corners with six SCe3Er2 trigonal bipyramids, edges with three SCe4Er square pyramids, edges with five SCe3Er2 trigonal bipyramids, and edges with two equivalent SCe2Er2 trigonal pyramids. In the seventh S2- site, S2- is bonded to two Er3+ and two equivalent Ce3+ atoms to form SCe2Er2 tetrahedra that share corners with six SCe4Er square pyramids, corners with two equivalent SCe2Er2 tetrahedra, corners with six SCe3Er2 trigonal bipyramids, corners with two equivalent SCe2Er2 trigonal pyramids, an edgeedge with one SCe4Er square pyramid, and an edgeedge with one SCe4Er trigonal bipyramid. In the eighth S2- site, S2- is bonded in a 5-coordinate geometry to four Er3+ and one Ce3+ atom. In the ninth S2- site, S2- is bonded to one Er3+ and four Ce3+ atoms to form distorted SCe4Er trigonal bipyramids that share corners with four SCe4Er square pyramids, corners with two equivalent SCe2Er2 tetrahedra, corners with two equivalent SCe4Er trigonal bipyramids, corners with two equivalent SCe2Er2 trigonal pyramids, edges with two SCe4Er square pyramids, an edgeedge with one SCe2Er2 tetrahedra, edges with four SCeEr4 trigonal bipyramids, and a faceface with one SCe4Er trigonal bipyramid. In the tenth S2- site, S2- is bonded to one Er3+ and four Ce3+ atoms to form distorted SCe4Er trigonal bipyramids that share corners with four SCe4Er square pyramids, corners with six SCeEr4 trigonal bipyramids, edges with two SCe4Er square pyramids, edges with three SCe2Er3 trigonal bipyramids, edges with two equivalent SCe2Er2 trigonal pyramids, and a faceface with one SCe4Er trigonal bipyramid. In the eleventh S2- site, S2- is bonded to one Er3+ and four Ce3+ atoms to form distorted SCe4Er square pyramids that share corners with two equivalent SCe2Er2 tetrahedra, corners with eight SCe2Er3 trigonal bipyramids, corners with two equivalent SCe2Er2 trigonal pyramids, edges with two equivalent SCe4Er square pyramids, an edgeedge with one SCe2Er2 tetrahedra, edges with four SCeEr4 trigonal bipyramids, and a faceface with one SCe2Er3 trigonal bipyramid. In the twelfth S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Ce3+ atoms to form distorted SCe2Er3 square pyramids that share corners with two equivalent SCe4Er square pyramids, corners with three equivalent SCe2Er2 tetrahedra, corners with four equivalent SCe3Er2 trigonal bipyramids, edges with five SCe4Er square pyramids, and an edgeedge with one SCe3Er2 trigonal bipyramid.

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Materials Data on Ce3Er by Materials Project

ErCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ce atoms to form ErCe12 cuboctahedra that share corners with four equivalent ErCe12 cuboctahedra, corners with eight equivalent CeCe8Er4 cuboctahedra, edges with eight equivalent ErCe12 cuboctahedra, edges with sixteen equivalent CeCe8Er4 cuboctahedra, faces with four equivalent ErCe12 cuboctahedra, and faces with fourteen CeCe8Er4 cuboctahedra. There are four shorter (3.41 Å) and eight longer (3.45 Å) Er–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Er and eight Ce atoms to form CeCe8Er4 cuboctahedra that share corners with twelve equivalent CeCe8Er4 cuboctahedra, edges with eight equivalent ErCe12 cuboctahedra, edges with sixteen CeCe8Er4 cuboctahedra, faces with four equivalent ErCe12 cuboctahedra, and faces with fourteen CeCe8Er4 cuboctahedra. There are four shorter (3.41 Å) and four longer (3.45 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Er and eight equivalent Ce atoms to form CeCe8Er4 cuboctahedra that share corners with four equivalent CeCe8Er4 cuboctahedra, corners with eight equivalent ErCe12 cuboctahedra, edges with twenty-four CeCe8Er4 cuboctahedra, faces with six equivalent ErCe12 cuboctahedra, and faces with twelve CeCe8Er4 cuboctahedra.

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Materials Data on ErIn5Rh by Materials Project

ErRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to twelve In atoms to form ErIn12 cuboctahedra that share corners with four equivalent ErIn12 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with four equivalent InEr4In8 cuboctahedra. There are eight shorter (3.24 Å) and four longer (3.30 Å) Er–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.78 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.24 Å. In the second In site, In is bonded to four equivalent Er and eight equivalent In atoms to form InEr4In8 cuboctahedra that share corners with four equivalent InEr4In8 cuboctahedra, faces with four equivalent ErIn12 cuboctahedra, and faces with four equivalent InEr4In8 cuboctahedra.

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Materials Data on ErMn2O3 by Materials Project

ErMn2O3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er is bonded to six O atoms to form distorted edge-sharing ErO6 pentagonal pyramids. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent O atoms. Both Mn–O bond lengths are 1.95 Å. In the second Mn site, Mn is bonded in a rectangular see-saw-like geometry to four O atoms. There are two shorter (2.13 Å) and two longer (2.18 Å) Mn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Er and two Mn atoms to form a mixture of distorted edge and corner-sharing OEr2Mn2 tetrahedra. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Er and two equivalent Mn atoms.

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Materials Data on Ho3Er by Materials Project

ErHo3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ho atoms to form ErHo12 cuboctahedra that share corners with four equivalent ErHo12 cuboctahedra, corners with eight equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen equivalent HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen HoHo8Er4 cuboctahedra. All Er–Ho bond lengths are 3.52 Å. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Er and eight Ho atoms to form HoHo8Er4 cuboctahedra that share corners with twelve equivalent HoHo8Er4 cuboctahedra, edges with eight equivalent ErHo12 cuboctahedra, edges with sixteen HoHo8Er4 cuboctahedra, faces with four equivalent ErHo12 cuboctahedra, and faces with fourteen HoHo8Er4 cuboctahedra. All Ho–Ho bond lengths are 3.52 Å. In the second Ho site, Ho is bonded to four equivalent Er and eight equivalent Ho atoms to form HoHo8Er4 cuboctahedra that share corners with four equivalent HoHo8Er4 cuboctahedra, corners with eight equivalent ErHo12 cuboctahedra, edges with twenty-four HoHo8Er4 cuboctahedra, faces with six equivalent ErHo12 cuboctahedra, and faces with twelve HoHo8Er4 cuboctahedra.

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Materials Data on ErRe2 by Materials Project

ErRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Er–Re bond distances ranging from 3.14–3.18 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Er and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReEr6Re6 cuboctahedra. All Re–Re bond lengths are 2.73 Å. In the second Re site, Re is bonded to six equivalent Er and six Re atoms to form a mixture of edge, corner, and face-sharing ReEr6Re6 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.80 Å) Re–Re bond lengths.

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Materials Data on Er4CrS7 by Materials Project

CrEr4S7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Er3+ sites. In the first 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 2.72–3.05 Å. In the second Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with two equivalent CrS6 octahedra, corners with six ErS6 octahedra, edges with four ErS6 octahedra, and faces with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 21–68°. There are a spread of Er–S bond distances ranging from 2.68–2.93 Å. In the third Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one ErS6 octahedra, a cornercorner with one CrS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, and edges with three equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Er–S bond distances ranging from 2.65–2.70 Å. In the fourth Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent CrS6 octahedra, corners with four equivalent ErS7 pentagonal bipyramids, edges with two equivalent ErS6 octahedra, edges with three equivalent CrS6 octahedra, and an edgeedge with one ErS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 3–51°. There are a spread of Er–S bond distances ranging from 2.64–2.76 Å. Cr2+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with three ErS6 octahedra, corners with two equivalent ErS7 pentagonal bipyramids, edges with two equivalent CrS6 octahedra, and edges with three equivalent ErS6 octahedra. The corner-sharing octahedra tilt angles range from 3–54°. There are a spread of Cr–S bond distances ranging from 2.44–2.61 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to four Er3+ and one Cr2+ atom to form distorted SEr4Cr trigonal bipyramids that share corners with five SEr3Cr tetrahedra, corners with four SEr5 trigonal bipyramids, edges with two equivalent SEr3Cr2 square pyramids, an edgeedge with one SEr4 tetrahedra, and edges with three SEr4Cr trigonal bipyramids. In the second S2- site, S2- is bonded to three Er3+ and two equivalent Cr2+ atoms to form distorted SEr3Cr2 square pyramids that share corners with five SEr3Cr tetrahedra, corners with four SEr5 trigonal bipyramids, edges with two equivalent SEr3Cr2 square pyramids, an edgeedge with one SEr3Cr tetrahedra, and edges with three SEr4Cr trigonal bipyramids. In the third S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with two equivalent SEr3Cr2 square pyramids, corners with four equivalent SEr3Cr tetrahedra, corners with four SEr4Cr trigonal bipyramids, an edgeedge with one SEr3Cr2 square pyramid, edges with three SEr3Cr tetrahedra, and edges with five SEr5 trigonal bipyramids. In the fourth S2- site, S2- is bonded to five Er3+ atoms to form distorted SEr5 trigonal bipyramids that share corners with two equivalent SEr3Cr2 square pyramids, corners with four equivalent SEr4 tetrahedra, corners with four SEr4Cr trigonal bipyramids, edges with three SEr3Cr tetrahedra, and edges with six SEr4Cr trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Er3+ and one Cr2+ atom to form distorted SEr3Cr tetrahedra that share corners with four equivalent SEr3Cr2 square pyramids, corners with three SEr3Cr tetrahedra, corners with five SEr4Cr trigonal bipyramids, an edgeedge with one SEr3Cr2 square pyramid, and edges with three SEr5 trigonal bipyramids. In the sixth S2- site, S2- is bonded to four Er3+ atoms to form distorted SEr4 tetrahedra that share a cornercorner with one SEr3Cr2 square pyramid, corners with three SEr3Cr tetrahedra, corners with eight SEr4Cr trigonal bipyramids, and edges with four SEr4Cr trigonal bipyramids. In the seventh S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Er3+ and two equivalent Cr2+ atoms.

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Materials Data on Er3S3OF by Materials Project

Er3S3OF crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two 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 octahedral tilt angles are 0°. There are four shorter (2.66 Å) and two longer (2.70 Å) Er–S bond lengths. In the second Er3+ site, Er3+ is bonded in a 4-coordinate geometry to four equivalent S2-, two equivalent O2-, and two equivalent F1- atoms. All Er–S bond lengths are 2.92 Å. Both Er–O bond lengths are 2.31 Å. Both Er–F bond lengths are 2.31 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Er3+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Er3+ atoms. O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with four equivalent OEr4 tetrahedra and edges with four equivalent FEr4 tetrahedra. F1- is bonded to four equivalent Er3+ atoms to form FEr4 tetrahedra that share corners with four equivalent FEr4 tetrahedra and edges with four equivalent OEr4 tetrahedra.

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Materials Data on NdErFe17 by Materials Project

ErNdFe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Er–Fe bond distances ranging from 2.99–3.27 Å. Nd is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Nd–Fe bond distances ranging from 2.96–3.21 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd and ten Fe atoms to form FeNd2Fe10 cuboctahedra that share corners with fourteen FeNdEr2Fe9 cuboctahedra, edges with six equivalent FeNdEr2Fe9 cuboctahedra, and faces with ten FeNd2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.46–2.62 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Er, one Nd, and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.77 Å. In the third Fe site, Fe is bonded to two equivalent Er, one Nd, and nine Fe atoms to form distorted FeNdEr2Fe9 cuboctahedra that share corners with fifteen FeNd2Fe10 cuboctahedra, edges with eight FeNdEr2Fe9 cuboctahedra, and faces with ten FeNd2Fe10 cuboctahedra. There are two shorter (2.44 Å) and one longer (2.69 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Nd and thirteen Fe atoms. The Fe–Fe bond length is 2.36 Å.

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Materials Data on Er2MgS4 by Materials Project

MgEr2S4 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six S2- atoms to form MgS6 octahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent MgS6 octahedra, corners with four ErS7 pentagonal bipyramids, an edgeedge with one MgS6 octahedra, edges with four ErS6 octahedra, and edges with three ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–54°. There are a spread of Mg–S bond distances ranging from 2.53–2.86 Å. In the second Mg2+ site, Mg2+ is bonded to six S2- atoms to form MgS6 octahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent MgS6 octahedra, corners with four ErS7 pentagonal bipyramids, an edgeedge with one MgS6 octahedra, edges with four ErS6 octahedra, and edges with three ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–54°. There are a spread of Mg–S bond distances ranging from 2.54–2.77 Å. There are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one MgS6 octahedra, corners with two equivalent ErS6 octahedra, corners with four ErS7 pentagonal bipyramids, an edgeedge with one ErS6 octahedra, edges with four MgS6 octahedra, and edges with three ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–54°. There are a spread of Er–S bond distances ranging from 2.67–2.74 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share a cornercorner with one MgS6 octahedra, corners with two equivalent ErS6 octahedra, corners with four ErS7 pentagonal bipyramids, an edgeedge with one ErS6 octahedra, edges with four MgS6 octahedra, and edges with three ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–54°. There are a spread of Er–S bond distances ranging from 2.66–2.76 Å. In the third Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with four MgS6 octahedra, corners with four ErS6 octahedra, edges with three MgS6 octahedra, edges with three ErS6 octahedra, and faces with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 16–70°. There are a spread of Er–S bond distances ranging from 2.71–3.02 Å. In the fourth Er3+ site, Er3+ is bonded to seven S2- atoms to form distorted ErS7 pentagonal bipyramids that share corners with four MgS6 octahedra, corners with four ErS6 octahedra, edges with three MgS6 octahedra, edges with three ErS6 octahedra, and faces with two equivalent ErS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 17–69°. There are a spread of Er–S bond distances ranging from 2.70–3.03 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to two Mg2+ and three Er3+ atoms to form distorted SEr3Mg2 trigonal bipyramids that share corners with two equivalent SEr3Mg2 square pyramids, corners with three equivalent SEr3Mg tetrahedra, corners with two equivalent SEr3Mg2 trigonal bipyramids, edges with five SEr3Mg2 square pyramids, and edges with three SEr3Mg2 trigonal bipyramids. In the second S2- site, S2- is bonded to two Mg2+ and three Er3+ atoms to form distorted SEr3Mg2 trigonal bipyramids that share corners with six SEr3Mg2 square pyramids, corners with two equivalent SEr3Mg tetrahedra, corners with two equivalent SEr3Mg2 trigonal bipyramids, edges with three SEr3Mg2 square pyramids, an edgeedge with one SEr3Mg tetrahedra, and edges with three SEr3Mg2 trigonal bipyramids. In the third S2- site, S2- is bonded to one Mg2+ and three Er3+ atoms to form a mixture of distorted corner and edge-sharing SEr3Mg tetrahedra. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Er3+ atoms. In the fifth S2- site, S2- is bonded to two Mg2+ and three Er3+ atoms to form distorted SEr3Mg2 square pyramids that share a cornercorner with one SEr3Mg tetrahedra, corners with eight SEr3Mg2 trigonal bipyramids, edges with four SEr3Mg2 square pyramids, an edgeedge with one SEr3Mg tetrahedra, and edges with two SEr3Mg2 trigonal bipyramids. In the sixth S2- site, S2- is bonded to two Mg2+ and three Er3+ atoms to form distorted SEr3Mg2 square pyramids that share corners with two equivalent SEr4Mg square pyramids, a cornercorner with one SEr3Mg tetrahedra, corners with six SEr3Mg2 trigonal bipyramids, edges with three SEr3Mg2 square pyramids, an edgeedge with one SEr3Mg tetrahedra, and edges with three SEr3Mg2 trigonal bipyramids. In the seventh S2- site, S2- is bonded to one Mg2+ and four Er3+ atoms to form distorted SEr4Mg square pyramids that share corners with two equivalent SEr3Mg2 square pyramids, corners with two equivalent SEr3Mg tetrahedra, corners with two equivalent SEr4Mg trigonal bipyramids, edges with three SEr3Mg2 square pyramids, an edgeedge with one SEr3Mg tetrahedra, and edges with five SEr3Mg2 trigonal bipyramids. In the eighth S2- site, S2- is bonded to one Mg2+ and four Er3+ atoms to form distorted SEr4Mg trigonal bipyramids that share corners with eight SEr3Mg2 square pyramids, corners with three equivalent SEr3Mg tetrahedra, edges with two SEr3Mg2 square pyramids, and edges with four SEr3Mg2 trigonal bipyramids.

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Materials Data on Er2MgSe4 by Materials Project

MgEr2Se4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgEr2Se4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four Se2- atoms to form MgSe4 tetrahedra that share a cornercorner with one MgSe6 octahedra, corners with two equivalent ErSe6 octahedra, and corners with six ErSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are a spread of Mg–Se bond distances ranging from 2.57–2.61 Å. In the second Mg2+ site, Mg2+ is bonded to six Se2- atoms to form MgSe6 octahedra that share a cornercorner with one MgSe4 tetrahedra, corners with five ErSe4 tetrahedra, edges with two equivalent MgSe6 octahedra, and edges with four equivalent ErSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.80–2.85 Å. There are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to four Se2- atoms to form ErSe4 tetrahedra that share a cornercorner with one ErSe6 octahedra, corners with two equivalent MgSe6 octahedra, corners with two equivalent MgSe4 tetrahedra, and corners with four ErSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Er–Se bond distances ranging from 2.68–2.72 Å. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share corners with two equivalent MgSe4 tetrahedra, corners with four ErSe4 tetrahedra, edges with two equivalent ErSe6 octahedra, and edges with four equivalent MgSe6 octahedra. There are a spread of Er–Se bond distances ranging from 2.85–2.92 Å. In the third Er3+ site, Er3+ is bonded to four Se2- atoms to form ErSe4 tetrahedra that share a cornercorner with one ErSe6 octahedra, corners with two equivalent MgSe6 octahedra, corners with two equivalent MgSe4 tetrahedra, and corners with four ErSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–63°. There are a spread of Er–Se bond distances ranging from 2.68–2.72 Å. In the fourth Er3+ site, Er3+ is bonded to four Se2- atoms to form ErSe4 tetrahedra that share a cornercorner with one MgSe6 octahedra, corners with two equivalent ErSe6 octahedra, corners with two equivalent MgSe4 tetrahedra, and corners with four ErSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Er–Se bond distances ranging from 2.69–2.72 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Mg2+ and two Er3+ atoms to form distorted SeEr2Mg2 tetrahedra that share corners with seven SeEr3Mg tetrahedra, corners with two equivalent SeEr2Mg2 trigonal pyramids, edges with two SeEr2Mg2 tetrahedra, and an edgeedge with one SeEr2Mg2 trigonal pyramid. In the second Se2- site, Se2- is bonded to two Mg2+ and two equivalent Er3+ atoms to form distorted SeEr2Mg2 trigonal pyramids that share corners with nine SeEr2Mg2 tetrahedra, edges with two SeEr3Mg tetrahedra, and an edgeedge with one SeEr2Mg2 trigonal pyramid. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the fourth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the fifth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the sixth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the seventh Se2- site, Se2- is bonded to one Mg2+ and three Er3+ atoms to form distorted SeEr3Mg tetrahedra that share corners with six SeEr2Mg2 tetrahedra, corners with three equivalent SeEr2Mg2 trigonal pyramids, edges with two SeEr3Mg tetrahedra, and an edgeedge with one SeEr2Mg2 trigonal pyramid. In the eighth Se2- site, Se2- is bonded to two equivalent Mg2+ and two Er3+ atoms to form distorted SeEr2Mg2 tetrahedra that share corners with five SeEr2Mg2 tetrahedra, corners with four equivalent SeEr2Mg2 trigonal pyramids, and edges with three SeEr3Mg tetrahedra.

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Materials Data on Er2MgS4 by Materials Project

MgEr2S4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgEr2S4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share a cornercorner with one MgS6 octahedra, corners with two equivalent ErS6 octahedra, and corners with six ErS4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are a spread of Mg–S bond distances ranging from 2.44–2.48 Å. In the second Mg2+ site, Mg2+ is bonded to six S2- atoms to form MgS6 octahedra that share a cornercorner with one MgS4 tetrahedra, corners with five ErS4 tetrahedra, edges with two equivalent MgS6 octahedra, and edges with four equivalent ErS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.68–2.73 Å. There are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to four S2- atoms to form ErS4 tetrahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent MgS6 octahedra, corners with two equivalent MgS4 tetrahedra, and corners with four ErS4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–62°. There are a spread of Er–S bond distances ranging from 2.54–2.59 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with two equivalent MgS4 tetrahedra, corners with four ErS4 tetrahedra, edges with two equivalent ErS6 octahedra, and edges with four equivalent MgS6 octahedra. There are a spread of Er–S bond distances ranging from 2.73–2.80 Å. In the third Er3+ site, Er3+ is bonded to four S2- atoms to form ErS4 tetrahedra that share a cornercorner with one ErS6 octahedra, corners with two equivalent MgS6 octahedra, corners with two equivalent MgS4 tetrahedra, and corners with four ErS4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–64°. There are a spread of Er–S bond distances ranging from 2.54–2.59 Å. In the fourth Er3+ site, Er3+ is bonded to four S2- atoms to form ErS4 tetrahedra that share a cornercorner with one MgS6 octahedra, corners with two equivalent ErS6 octahedra, corners with two equivalent MgS4 tetrahedra, and corners with four ErS4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Er–S bond distances ranging from 2.55–2.58 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Mg2+ and two Er3+ atoms to form distorted SEr2Mg2 tetrahedra that share corners with seven SEr3Mg tetrahedra, corners with two equivalent SEr2Mg2 trigonal pyramids, edges with two SEr2Mg2 tetrahedra, and an edgeedge with one SEr2Mg2 trigonal pyramid. In the second S2- site, S2- is bonded to two Mg2+ and two equivalent Er3+ atoms to form distorted SEr2Mg2 trigonal pyramids that share corners with nine SEr2Mg2 tetrahedra, edges with two SEr3Mg tetrahedra, and an edgeedge with one SEr2Mg2 trigonal pyramid. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Er3+ atoms. In the fifth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the sixth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mg2+ and two Er3+ atoms. In the seventh S2- site, S2- is bonded to one Mg2+ and three Er3+ atoms to form distorted SEr3Mg tetrahedra that share corners with six SEr2Mg2 tetrahedra, corners with three equivalent SEr2Mg2 trigonal pyramids, edges with two SEr3Mg tetrahedra, and an edgeedge with one SEr2Mg2 trigonal pyramid. In the eighth S2- site, S2- is bonded to two equivalent Mg2+ and two Er3+ atoms to form distorted SEr2Mg2 tetrahedra that share corners with five SEr2Mg2 tetrahedra, corners with four equivalent SEr2Mg2 trigonal pyramids, and edges with three SEr3Mg tetrahedra.

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Materials Data on ErN7O15 by Materials Project

Er(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Er(NO3)5 clusters. In each Er(NO3)5 cluster, Er3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Er–O bond distances ranging from 2.40–2.53 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a distorted L-shaped geometry to one Er3+ and one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Er3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom.

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Materials Data on Er4Ga12Pt by Materials Project

Er4PtGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share corners with twelve equivalent ErGa12 cuboctahedra, edges with twelve equivalent GaEr4Ga8 cuboctahedra, faces with six equivalent ErGa12 cuboctahedra, faces with six equivalent GaEr4Ga8 cuboctahedra, and faces with two equivalent PtGa6 octahedra. There are six shorter (3.05 Å) and six longer (3.07 Å) Er–Ga bond lengths. Pt is bonded to six equivalent Ga atoms to form PtGa6 octahedra that share corners with twenty-four equivalent GaEr4Ga8 cuboctahedra and faces with eight equivalent ErGa12 cuboctahedra. All Pt–Ga bond lengths are 2.56 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Er, one Pt, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.77 Å. In the second Ga site, Ga is bonded to four equivalent Er and eight Ga atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent GaEr4Ga8 cuboctahedra, corners with four equivalent PtGa6 octahedra, edges with eight equivalent ErGa12 cuboctahedra, edges with eight equivalent GaEr4Ga8 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with six equivalent GaEr4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–Ga bond lengths are 3.05 Å.

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Materials Data on ErMgAu by Materials Project

MgErAu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four Au atoms to form a mixture of distorted corner and edge-sharing MgAu4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.89 Å) Mg–Au bond lengths. Er is bonded in a 5-coordinate geometry to five Au atoms. There are four shorter (3.08 Å) and one longer (3.09 Å) Er–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Er atoms. In the second Au site, Au is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Er atoms.

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