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Materials Data on ErMg2 by Materials Project

ErMg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Er bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. There are two shorter (2.93 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are two shorter (3.50 Å) and four longer (3.52 Å) Mg–Er bond lengths. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are one shorter (3.64 Å) and three longer (3.69 Å) Er–Er bond lengths.

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Materials Data on Er2Pt by Materials Project

Er2Pt is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pt atoms to form a mixture of edge and corner-sharing ErPt4 tetrahedra. There are one shorter (2.86 Å) and three longer (2.93 Å) Er–Pt bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.81 Å) and two longer (3.04 Å) Er–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to seven Er atoms.

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Materials Data on ErB2Ru3 by Materials Project

ErRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Ru, and six equivalent B atoms. Both Er–Er bond lengths are 3.03 Å. All Er–Ru bond lengths are 3.14 Å. All Er–B bond lengths are 3.17 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent B atoms. All Ru–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ru atoms.

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Materials Data on ErNi7B3 by Materials Project

ErNi7B3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to fourteen Ni and four equivalent B atoms. There are a spread of Er–Ni bond distances ranging from 2.60–3.13 Å. All Er–B bond lengths are 2.86 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Er and four B atoms. There are two shorter (2.15 Å) and two longer (2.22 Å) Ni–B bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Er and three B atoms. There are two shorter (2.02 Å) and one longer (2.09 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the fourth Ni site, Ni is bonded in a distorted square co-planar geometry to two equivalent Er and four B atoms. There are two shorter (2.17 Å) and two longer (2.21 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Er and seven Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Ni and one B atom. The B–B bond length is 1.82 Å.

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Materials Data on Er5Si3 by Materials Project

Er5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to five equivalent Si atoms. There are a spread of Er–Si bond distances ranging from 2.88–3.39 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Er–Si bond lengths are 3.01 Å. Si is bonded in a 9-coordinate geometry to nine Er atoms.

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Materials Data on Er5Sn3 by Materials Project

Er5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.06–3.54 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Er–Sn bond lengths are 3.18 Å. Sn is bonded in a 9-coordinate geometry to nine Er atoms.

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Materials Data on ErB2Ir3 by Materials Project

ErIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Ir, and six equivalent B atoms. Both Er–Er bond lengths are 3.14 Å. All Er–Ir bond lengths are 3.15 Å. All Er–B bond lengths are 3.15 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ir atoms.

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Materials Data on Er4Si3O11F2 by Materials Project

Er4F2O11Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- and one F1- atom to form distorted ErO6F pentagonal bipyramids that share corners with four SiO4 tetrahedra, edges with two equivalent ErO6F pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.23–2.39 Å. The Er–F bond length is 2.33 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to five O2- and two F1- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.37 Å. There are one shorter (2.23 Å) and one longer (2.40 Å) Er–F bond lengths. In the third Er3+ site, Er3+ is bonded to six O2- and one F1- atom to form distorted ErO6F pentagonal bipyramids that share corners with four SiO4 tetrahedra, edges with two equivalent ErO6F pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.20–2.42 Å. The Er–F bond length is 2.24 Å. In the fourth Er3+ site, Er3+ is bonded in a 8-coordinate geometry to six O2- and two F1- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.84 Å. Both Er–F bond lengths are 2.35 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent ErO6F pentagonal bipyramids, a cornercorner with one SiO4 tetrahedra, and an edgeedge with one ErO6F pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two ErO6F pentagonal bipyramids and a cornercorner with one SiO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.67 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent ErO6F pentagonal bipyramids and an edgeedge with one ErO6F pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.70 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two Er3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Er3+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Si4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Er3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Er3+ atoms.

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Materials Data on ErB2Rh3 by Materials Project

ErRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Rh, and six equivalent B atoms. Both Er–Er bond lengths are 3.12 Å. All Er–Rh bond lengths are 3.13 Å. All Er–B bond lengths are 3.13 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent B atoms. All Rh–B bond lengths are 2.21 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Rh atoms.

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Materials Data on Er2Al3Co by Materials Project

Er2CoAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Co, and nine equivalent Al atoms. All Er–Er bond lengths are 3.31 Å. All Er–Co bond lengths are 3.21 Å. There are three shorter (3.08 Å) and six longer (3.21 Å) Er–Al bond lengths. Co is bonded to six equivalent Er and six equivalent Al atoms to form CoEr6Al6 cuboctahedra that share corners with twelve equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent CoEr6Al6 cuboctahedra, faces with two equivalent CoEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.63 Å. Al is bonded to six equivalent Er, two equivalent Co, and four equivalent Al atoms to form distorted AlEr6Al4Co2 cuboctahedra that share corners with four equivalent CoEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent AlEr6Al4Co2 cuboctahedra, faces with six equivalent CoEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Co2 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.83 Å) Al–Al bond lengths.

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Materials Data on Er5Rh3 by Materials Project

Er5Rh3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to five equivalent Rh atoms. There are a spread of Er–Rh bond distances ranging from 2.86–3.37 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Er–Rh bond lengths are 2.95 Å. Rh is bonded in a 9-coordinate geometry to nine Er atoms.

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Materials Data on Er2Ga10Os3 by Materials Project

Er2Os3Ga10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four Os and ten Ga atoms. There are two shorter (3.20 Å) and two longer (3.26 Å) Er–Os bond lengths. There are a spread of Er–Ga bond distances ranging from 2.93–3.03 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to two equivalent Er and ten Ga atoms to form distorted OsEr2Ga10 cuboctahedra that share corners with two equivalent OsEr2Ga10 cuboctahedra, edges with five equivalent OsEr2Ga10 cuboctahedra, and faces with four equivalent OsEr4Ga8 cuboctahedra. There are a spread of Os–Ga bond distances ranging from 2.64–2.72 Å. In the second Os site, Os is bonded to four equivalent Er and eight Ga atoms to form distorted OsEr4Ga8 cuboctahedra that share corners with four equivalent OsEr4Ga8 cuboctahedra and faces with eight equivalent OsEr2Ga10 cuboctahedra. All Os–Ga bond lengths are 2.68 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.92 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Er, three Os, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Er, two equivalent Os, and five Ga atoms. The Ga–Ga bond length is 2.77 Å.

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Materials Data on Er2Al3Co by Materials Project

Er2CoAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Co, and nine equivalent Al atoms. There are one shorter (3.26 Å) and three longer (3.30 Å) Er–Er bond lengths. All Er–Co bond lengths are 3.18 Å. There are three shorter (3.08 Å) and six longer (3.17 Å) Er–Al bond lengths. Co is bonded to six equivalent Er and six equivalent Al atoms to form CoEr6Al6 cuboctahedra that share corners with six equivalent CoEr6Al6 cuboctahedra, corners with twelve equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent CoEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Er, two equivalent Co, and four equivalent Al atoms to form distorted AlEr6Al4Co2 cuboctahedra that share corners with four equivalent CoEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent AlEr6Al4Co2 cuboctahedra, faces with six equivalent CoEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Co2 cuboctahedra. All Al–Al bond lengths are 2.72 Å.

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Materials Data on Er3C4 by Materials Project

Er3C4 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are four inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six C+2.25- atoms to form ErC6 octahedra that share corners with two equivalent ErC6 octahedra, corners with four equivalent ErC7 pentagonal bipyramids, and edges with four equivalent ErC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.48 Å) and four longer (2.58 Å) Er–C bond lengths. In the second Er3+ site, Er3+ is bonded to six C+2.25- atoms to form ErC6 octahedra that share a cornercorner with one ErC6 octahedra and edges with four equivalent ErC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Er–C bond distances ranging from 2.32–2.61 Å. In the third Er3+ site, Er3+ is bonded to seven C+2.25- atoms to form distorted ErC7 pentagonal bipyramids that share a cornercorner with one ErC6 octahedra, corners with two equivalent ErC7 pentagonal bipyramids, edges with three ErC6 octahedra, edges with two equivalent ErC7 pentagonal bipyramids, and faces with two equivalent ErC7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Er–C bond distances ranging from 2.47–2.73 Å. In the fourth Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven C+2.25- atoms. There are a spread of Er–C bond distances ranging from 2.32–2.82 Å. There are nine inequivalent C+2.25- sites. In the first C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–85°. In the second C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Er bond lengths are 2.32 Å. In the third C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. Both C–Er bond lengths are 2.32 Å. In the fourth C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fifth C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of C–Er bond distances ranging from 2.32–2.61 Å. In the sixth C+2.25- site, C+2.25- is bonded to six Er3+ atoms to form a mixture of edge and corner-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of C–Er bond distances ranging from 2.32–2.61 Å. In the seventh C+2.25- site, C+2.25- is bonded to five Er3+ and one C+2.25- atom to form a mixture of edge and corner-sharing CEr5C octahedra. The corner-sharing octahedra tilt angles range from 4–85°. The C–C bond length is 1.35 Å. In the eighth C+2.25- site, C+2.25- is bonded in a 2-coordinate geometry to four equivalent Er3+ and two equivalent C+2.25- atoms. In the ninth C+2.25- site, C+2.25- is bonded in a 6-coordinate geometry to five Er3+ and one C+2.25- atom. The C–C bond length is 1.31 Å.

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Materials Data on ErCu5Sn by Materials Project

ErCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Er–Cu bond distances ranging from 2.88–3.39 Å. There are two shorter (3.27 Å) and two longer (3.40 Å) Er–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Er, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuEr3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.49–2.58 Å. Both Cu–Sn bond lengths are 2.80 Å. In the second Cu site, Cu is bonded to three equivalent Er, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuEr3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.48–2.56 Å. There are one shorter (2.76 Å) and one longer (2.78 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Er, six Cu, and one Sn atom. The Cu–Cu bond length is 3.03 Å. The Cu–Sn bond length is 2.78 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Er, five Cu, and three equivalent Sn atoms. There are one shorter (2.62 Å) and two longer (3.00 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Er and ten Cu atoms.

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Materials Data on ErSe2NO11 by Materials Project

ErNSe2O9O2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one ErNSe2O9 sheet oriented in the (0, 0, 1) direction. In the ErNSe2O9 sheet, Er is bonded to six O atoms to form ErO6 octahedra that share corners with three equivalent SeO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.18–2.29 Å. N is bonded in a water-like geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.55 Å) N–O bond length. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 35–56°. There are a spread of Se–O bond distances ranging from 1.67–2.01 Å. In the second Se site, Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.68–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Se atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a water-like geometry to one Se and one O atom. The O–O bond length is 1.35 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Er and one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Er and one Se atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Er and one Se atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one N and one Se atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Er and one Se atom.

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Materials Data on Er3(Al3Ru)4 by Materials Project

Er3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Er–Ru bond lengths are 3.36 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.58 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Er and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.68 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Er and two equivalent Ru atoms.

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Materials Data on ErMg2 by Materials Project

ErMg2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Er atoms to form a mixture of edge, face, and corner-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.00 Å. All Mg–Er bond lengths are 3.52 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of edge, face, and corner-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.00 Å. All Mg–Er bond lengths are 3.52 Å. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are three shorter (3.67 Å) and one longer (3.69 Å) Er–Er bond lengths.

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