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DOE OSTI2020

Materials Data on Er3(Al3Os)4 by Materials Project

Er3(OsAl3)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 Os and eleven Al atoms. All Er–Os bond lengths are 3.36 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.22 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.38 Å) and six longer (2.59 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Er and eight Al atoms. There are four shorter (2.55 Å) and four longer (2.68 Å) Os–Al bond lengths. 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 Os atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Er and two equivalent Os atoms.

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Materials Data on ErMn2(Fe2Sn3)2 by Materials Project

ErMn2(Fe2Sn3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Er is bonded to six Fe and eight Sn atoms to form distorted ErFe6Sn8 hexagonal bipyramids that share faces with twelve FeEr2Fe4Sn6 cuboctahedra and faces with six equivalent ErFe6Sn8 hexagonal bipyramids. There are four shorter (3.51 Å) and two longer (3.52 Å) Er–Fe bond lengths. There are a spread of Er–Sn bond distances ranging from 3.03–3.14 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Fe and six Sn atoms. Both Mn–Fe bond lengths are 2.71 Å. There are a spread of Mn–Sn bond distances ranging from 2.72–2.83 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to four equivalent Mn and six Sn atoms. There are a spread of Fe–Sn bond distances ranging from 2.71–2.84 Å. In the second Fe site, Fe is bonded to two equivalent Er, four Fe, and six Sn atoms to form distorted FeEr2Fe4Sn6 cuboctahedra that share corners with four equivalent FeEr2Fe4Sn6 cuboctahedra, edges with two equivalent FeEr2Fe4Sn6 cuboctahedra, faces with eight FeEr2Fe4Sn6 cuboctahedra, and faces with four equivalent ErFe6Sn8 hexagonal bipyramids. There are two shorter (2.71 Å) and two longer (2.73 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.72–2.83 Å. In the third Fe site, Fe is bonded to two equivalent Er, four equivalent Fe, and six Sn atoms to form distorted FeEr2Fe4Sn6 cuboctahedra that share corners with four equivalent FeEr2Fe4Sn6 cuboctahedra, edges with two equivalent FeEr2Fe4Sn6 cuboctahedra, faces with eight equivalent FeEr2Fe4Sn6 cuboctahedra, and faces with four equivalent ErFe6Sn8 hexagonal bipyramids. There are a spread of Fe–Sn bond distances ranging from 2.72–2.84 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Er, four equivalent Mn, two equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.94 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six Fe, and one Sn atom. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Mn and four Fe atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er, two equivalent Mn, and four Fe atoms.

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Materials Data on Er3Pt by Materials Project

Er3Pt is Cementite 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 in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.84–3.33 Å. In the second Er site, Er is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.79 Å) and one longer (2.87 Å) Er–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Er atoms.

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Materials Data on Er2Mn3Ga by Materials Project

Er2Mn3Ga 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, nine equivalent Mn, and three equivalent Ga atoms. There are one shorter (3.16 Å) and three longer (3.29 Å) Er–Er bond lengths. There are three shorter (3.10 Å) and six longer (3.12 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 3.15 Å. Mn is bonded to six equivalent Er, four equivalent Mn, and two equivalent Ga atoms to form MnEr6Mn4Ga2 cuboctahedra that share corners with four equivalent GaEr6Mn6 cuboctahedra, corners with fourteen equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent MnEr6Mn4Ga2 cuboctahedra, faces with six equivalent GaEr6Mn6 cuboctahedra, and faces with twelve equivalent MnEr6Mn4Ga2 cuboctahedra. All Mn–Mn bond lengths are 2.68 Å. Both Mn–Ga bond lengths are 2.64 Å. Ga is bonded to six equivalent Er and six equivalent Mn atoms to form GaEr6Mn6 cuboctahedra that share corners with six equivalent GaEr6Mn6 cuboctahedra, corners with twelve equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent GaEr6Mn6 cuboctahedra, and faces with eighteen equivalent MnEr6Mn4Ga2 cuboctahedra.

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Materials Data on Er2Al3Ga by Materials Project

Er2GaAl3 is Cubic Laves-derived structured and 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 Ga, and nine equivalent Al atoms. There are one shorter (3.36 Å) and three longer (3.38 Å) Er–Er bond lengths. All Er–Ga bond lengths are 3.23 Å. There are six shorter (3.22 Å) and three longer (3.25 Å) Er–Al bond lengths. Ga is bonded to six equivalent Er and six equivalent Al atoms to form GaEr6Al6 cuboctahedra that share corners with six equivalent GaEr6Al6 cuboctahedra, corners with twelve equivalent AlEr6Al4Ga2 cuboctahedra, edges with six equivalent GaEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Ga2 cuboctahedra. All Ga–Al bond lengths are 2.76 Å. Al is bonded to six equivalent Er, two equivalent Ga, and four equivalent Al atoms to form AlEr6Al4Ga2 cuboctahedra that share corners with four equivalent GaEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Ga2 cuboctahedra, edges with six equivalent AlEr6Al4Ga2 cuboctahedra, faces with six equivalent GaEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Ga2 cuboctahedra. All Al–Al bond lengths are 2.75 Å.

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Materials Data on Er3Mn3Ga2Ge by Materials Project

Er3Mn3GeGa2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Ge atoms. There are a spread of Er–Mn bond distances ranging from 3.19–3.30 Å. All Er–Ga bond lengths are 2.94 Å. Both Er–Ge bond lengths are 2.93 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Mn, three Ga, and one Ge atom. Both Mn–Mn bond lengths are 2.78 Å. There are two shorter (2.61 Å) and one longer (2.78 Å) Mn–Ga bond lengths. The Mn–Ge bond length is 2.75 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Mn atoms. Ge is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms.

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Materials Data on Er2Nb2S7O30 by Materials Project

Er2Nb2S7O30 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.26–2.46 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with five SO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.78–2.18 Å. There are three inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one NbO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Er and one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a distorted linear geometry to one Er and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Er and one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Nb and one S atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Nb and one S atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one S atom. In the eighth O site, O is bonded in a linear geometry to one Er and one Nb atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one S atom. In the tenth O site, O is bonded in a distorted linear geometry to one Nb and one S atom.

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Materials Data on ErB4(IrRh)2 by Materials Project

ErB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ir, six equivalent Rh, and twelve B atoms. There are two shorter (2.98 Å) and four longer (3.19 Å) Er–Ir bond lengths. There are two shorter (2.96 Å) and four longer (3.20 Å) Er–Rh bond lengths. There are a spread of Er–B bond distances ranging from 3.05–3.16 Å. Ir is bonded in a 5-coordinate geometry to three equivalent Er and five B atoms. There are four shorter (2.22 Å) and one longer (2.27 Å) Ir–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Er and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er, three equivalent Ir, two equivalent Rh, and one B atom. The B–B bond length is 1.84 Å. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Er, two equivalent Ir, three equivalent Rh, and one B atom. The B–B bond length is 1.83 Å.

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Materials Data on ErMnAl by Materials Project

ErMnAl is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.29 Å) and two longer (3.36 Å) Er–Er bond lengths. There are two shorter (3.11 Å) and four longer (3.22 Å) Er–Mn bond lengths. There are four shorter (3.18 Å) and two longer (3.19 Å) Er–Al bond lengths. Mn is bonded to six equivalent Er, two equivalent Mn, and four equivalent Al atoms to form MnEr6Mn2Al4 cuboctahedra that share corners with eight equivalent AlEr6Mn4Al2 cuboctahedra, corners with ten equivalent MnEr6Mn2Al4 cuboctahedra, edges with six equivalent MnEr6Mn2Al4 cuboctahedra, faces with six equivalent MnEr6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlEr6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.72 Å. All Mn–Al bond lengths are 2.70 Å. Al is bonded to six equivalent Er, four equivalent Mn, and two equivalent Al atoms to form AlEr6Mn4Al2 cuboctahedra that share corners with eight equivalent MnEr6Mn2Al4 cuboctahedra, corners with ten equivalent AlEr6Mn4Al2 cuboctahedra, edges with six equivalent AlEr6Mn4Al2 cuboctahedra, faces with six equivalent AlEr6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnEr6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.75 Å.

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Materials Data on ErMnFe by Materials Project

ErMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.12 Å) and two longer (3.13 Å) Er–Er bond lengths. There are four shorter (2.98 Å) and two longer (3.00 Å) Er–Mn bond lengths. There are two shorter (2.99 Å) and four longer (3.00 Å) Er–Fe bond lengths. Mn is bonded to six equivalent Er, two equivalent Mn, and four equivalent Fe atoms to form MnEr6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeEr6Mn4Fe2 cuboctahedra, corners with ten equivalent MnEr6Mn2Fe4 cuboctahedra, edges with six equivalent MnEr6Mn2Fe4 cuboctahedra, faces with six equivalent MnEr6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeEr6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.56 Å. All Mn–Fe bond lengths are 2.55 Å. Fe is bonded to six equivalent Er, four equivalent Mn, and two equivalent Fe atoms to form FeEr6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnEr6Mn2Fe4 cuboctahedra, corners with ten equivalent FeEr6Mn4Fe2 cuboctahedra, edges with six equivalent FeEr6Mn4Fe2 cuboctahedra, faces with six equivalent FeEr6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnEr6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.

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Materials Data on ErV2Fe10N by Materials Project

ErV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Er–V bond lengths are 3.06 Å. There are two shorter (3.08 Å) and eight longer (3.25 Å) Er–Fe bond lengths. Both Er–N bond lengths are 2.36 Å. V is bonded in a 10-coordinate geometry to one Er, one V, and twelve Fe atoms. The V–V bond length is 2.44 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.91 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.45 Å) and two longer (2.62 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.93 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.46 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the third Fe site, Fe is bonded to two equivalent Er, two equivalent V, and eight Fe atoms to form distorted FeEr2V2Fe8 cuboctahedra that share corners with ten equivalent FeEr2V2Fe8 cuboctahedra, corners with two equivalent NEr2Fe4 octahedra, edges with four equivalent FeEr2V2Fe8 cuboctahedra, faces with six equivalent FeEr2V2Fe8 cuboctahedra, and faces with two equivalent NEr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.36 Å) and two longer (2.62 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Er, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.41 Å. N is bonded to two equivalent Er and four Fe atoms to form NEr2Fe4 octahedra that share corners with eight equivalent FeEr2V2Fe8 cuboctahedra, corners with two equivalent NEr2Fe4 octahedra, and faces with eight equivalent FeEr2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Er2AlFe3 by Materials Project

Er2Fe3Al is Cubic Laves-derived structured and 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, nine equivalent Fe, and three equivalent Al atoms. There are one shorter (3.08 Å) and three longer (3.19 Å) Er–Er bond lengths. There are six shorter (3.01 Å) and three longer (3.05 Å) Er–Fe bond lengths. All Er–Al bond lengths are 3.04 Å. Fe is bonded to six equivalent Er, four equivalent Fe, and two equivalent Al atoms to form FeEr6Al2Fe4 cuboctahedra that share corners with four equivalent AlEr6Fe6 cuboctahedra, corners with fourteen equivalent FeEr6Al2Fe4 cuboctahedra, edges with six equivalent FeEr6Al2Fe4 cuboctahedra, faces with six equivalent AlEr6Fe6 cuboctahedra, and faces with twelve equivalent FeEr6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. Both Fe–Al bond lengths are 2.58 Å. Al is bonded to six equivalent Er and six equivalent Fe atoms to form AlEr6Fe6 cuboctahedra that share corners with six equivalent AlEr6Fe6 cuboctahedra, corners with twelve equivalent FeEr6Al2Fe4 cuboctahedra, edges with six equivalent AlEr6Fe6 cuboctahedra, and faces with eighteen equivalent FeEr6Al2Fe4 cuboctahedra.

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Materials Data on Er3Ir by Materials Project

Er3Ir is Cementite 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 in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Er–Ir bond distances ranging from 2.84–3.21 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.75 Å) and one longer (2.84 Å) Er–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to eight Er atoms.

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Materials Data on Er2AlCo3 by Materials Project

Er2Co3Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to four equivalent Er, nine equivalent Co, and three equivalent Al atoms. There are one shorter (3.00 Å) and three longer (3.17 Å) Er–Er bond lengths. There are three shorter (2.81 Å) and six longer (3.04 Å) Er–Co bond lengths. All Er–Al bond lengths are 3.09 Å. Co is bonded to six equivalent Er, four equivalent Co, and two equivalent Al atoms to form distorted CoEr6Al2Co4 cuboctahedra that share corners with four equivalent AlEr6Co6 cuboctahedra, corners with fourteen equivalent CoEr6Al2Co4 cuboctahedra, edges with six equivalent CoEr6Al2Co4 cuboctahedra, faces with six equivalent AlEr6Co6 cuboctahedra, and faces with twelve equivalent CoEr6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.65 Å. Both Co–Al bond lengths are 2.46 Å. Al is bonded to six equivalent Er and six equivalent Co atoms to form distorted AlEr6Co6 cuboctahedra that share corners with six equivalent AlEr6Co6 cuboctahedra, corners with twelve equivalent CoEr6Al2Co4 cuboctahedra, edges with six equivalent AlEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr6Al2Co4 cuboctahedra.

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Materials Data on Er2Ge5Ru3 by Materials Project

Er2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are four shorter (3.19 Å) and two longer (3.46 Å) Er–Ru bond lengths. There are a spread of Er–Ge bond distances ranging from 2.97–3.45 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Er and six Ge atoms. There are four shorter (2.50 Å) and two longer (2.59 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.40–2.50 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Er and four equivalent Ru atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Er, three Ru, and four Ge atoms. There are two shorter (2.69 Å) and two longer (2.88 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Er, three Ru, and two equivalent Ge atoms.

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Materials Data on LaEr4Ge3 by Materials Project

Er4LaGe3 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Er–Ge bond lengths are 3.04 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.91–3.62 Å. La is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All La–Ge bond lengths are 3.15 Å. Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent La atoms.

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Materials Data on Er2Si5Rh3 by Materials Project

Er2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Er–Rh bond distances ranging from 3.07–3.40 Å. There are a spread of Er–Si bond distances ranging from 2.96–3.20 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Er and six Si atoms. There are four shorter (2.44 Å) and two longer (2.58 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Er and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.34–2.42 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to four equivalent Er, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Er, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Rh atoms.

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Materials Data on Er2Mn3Ga by Materials Project

Er2Mn3Ga 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, nine equivalent Mn, and three equivalent Ga atoms. There are one shorter (3.13 Å) and three longer (3.30 Å) Er–Er bond lengths. There are three shorter (3.05 Å) and six longer (3.12 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 3.16 Å. Mn is bonded to six equivalent Er, four equivalent Mn, and two equivalent Ga atoms to form distorted MnEr6Mn4Ga2 cuboctahedra that share corners with four equivalent GaEr6Mn6 cuboctahedra, corners with fourteen equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent MnEr6Mn4Ga2 cuboctahedra, faces with six equivalent GaEr6Mn6 cuboctahedra, and faces with twelve equivalent MnEr6Mn4Ga2 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.82 Å) Mn–Mn bond lengths. Both Mn–Ga bond lengths are 2.67 Å. Ga is bonded to six equivalent Er and six equivalent Mn atoms to form GaEr6Mn6 cuboctahedra that share corners with twelve equivalent MnEr6Mn4Ga2 cuboctahedra, edges with six equivalent GaEr6Mn6 cuboctahedra, faces with two equivalent GaEr6Mn6 cuboctahedra, and faces with eighteen equivalent MnEr6Mn4Ga2 cuboctahedra.

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