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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyMnGa by Materials Project

DyMnGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Dy–Mn bond lengths. There are one shorter (2.94 Å) and four longer (2.97 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are a spread of Dy–Mn bond distances ranging from 3.22–3.29 Å. There are a spread of Dy–Ga bond distances ranging from 2.94–2.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Dy, two equivalent Mn, and four Ga atoms. Both Mn–Mn bond lengths are 2.94 Å. There are two shorter (2.68 Å) and two longer (2.77 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Dy, two Mn, and four Ga atoms. The Mn–Mn bond length is 2.93 Å. There are two shorter (2.67 Å) and two longer (2.77 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 six Dy and three Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Dy and six Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMnGa by Materials Project

DyMnGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.26 Å. There are a spread of Dy–Ga bond distances ranging from 2.94–3.20 Å. In the second Dy site, Dy is bonded in a 11-coordinate geometry to six Mn and five Ga atoms. There are four shorter (2.91 Å) and two longer (3.13 Å) Dy–Mn bond lengths. There are one shorter (3.04 Å) and four longer (3.33 Å) Dy–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six Dy, one Mn, and two equivalent Ga atoms. The Mn–Mn bond length is 2.78 Å. Both Mn–Ga bond lengths are 2.73 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Dy, two equivalent Mn, and four Ga atoms. There are two shorter (2.59 Å) and two longer (3.04 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 Dy, two equivalent Mn, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Dy, three Mn, and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMnGa by Materials Project

DyMnGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Mn and six equivalent Ga atoms. There are four shorter (2.92 Å) and one longer (3.00 Å) Dy–Mn bond lengths. There are two shorter (3.08 Å) and four longer (3.27 Å) Dy–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ga atoms. All Mn–Ga bond lengths are 2.73 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Ga atoms. All Mn–Ga bond lengths are 2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Dy and four Mn atoms.

36 MATERIALS SCIENCE↗