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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErMnGa by Materials Project

ErMnGa crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Er–Mn bond distances ranging from 2.91–3.23 Å. There are a spread of Er–Ga bond distances ranging from 2.91–3.34 Å. In the second Er site, Er is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Er–Mn bond distances ranging from 2.88–3.09 Å. There are a spread of Er–Ga bond distances ranging from 3.02–3.32 Å. In the third Er site, Er is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Er–Mn bond distances ranging from 2.92–3.18 Å. There are a spread of Er–Ga bond distances ranging from 2.94–3.22 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six Er, one Mn, and two equivalent Ga atoms. The Mn–Mn bond length is 2.76 Å. There are one shorter (2.67 Å) and one longer (2.69 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded to six Er, two equivalent Mn, and four Ga atoms to form distorted face-sharing MnEr6Mn2Ga4 cuboctahedra. There are two shorter (2.64 Å) and two longer (3.02 Å) Mn–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Er, two equivalent Mn, and four equivalent Ga atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Er, three Mn, and three Ga atoms. The Ga–Ga bond length is 3.05 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2MnGa3 by Materials Project

Er2MnGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to three equivalent Mn and nine Ga atoms. There are two shorter (3.18 Å) and one longer (3.23 Å) Er–Mn bond lengths. There are a spread of Er–Ga bond distances ranging from 3.04–3.28 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Mn and nine Ga atoms. All Er–Mn bond lengths are 3.09 Å. There are a spread of Er–Ga bond distances ranging from 3.03–3.31 Å. Mn is bonded in a 10-coordinate geometry to six Er and four Ga atoms. There are a spread of Mn–Ga bond distances ranging from 2.54–2.82 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six Er, one Mn, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to six Er, two equivalent Mn, and two Ga atoms. The Ga–Ga bond length is 2.65 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Er, one Mn, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗