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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2AlGe2 by Materials Project

AlDy2Ge2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (2.89 Å) and four longer (3.06 Å) Dy–Ge bond lengths. Al is bonded in a distorted square co-planar geometry to four equivalent Ge atoms. All Al–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Dy, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy10Al4Ge11 by Materials Project

Dy10Al4Ge11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Dy–Ge bond distances ranging from 3.00–3.51 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. In the third Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. In the fourth Dy site, Dy is bonded in a 10-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.97–3.50 Å. In the fifth Dy site, Dy is bonded in a 10-coordinate geometry to six Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.99–3.07 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Ge atoms. All Al–Ge bond lengths are 2.69 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Ge atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Al–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded to eight Dy and four equivalent Ge atoms to form a mixture of edge and face-sharing GeDy8Ge4 cuboctahedra. All Ge–Ge bond lengths are 2.74 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy and three Ge atoms. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Al, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Al3Ge4 by Materials Project

Al3Dy2Ge4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to two equivalent Al and eight Ge atoms. Both Dy–Al bond lengths are 3.19 Å. There are a spread of Dy–Ge bond distances ranging from 3.10–3.22 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Ge atoms to form distorted corner-sharing AlGe6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.60 Å) and two longer (2.77 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.55–2.91 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Al, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.91 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2AlGe3 by Materials Project

AlDy2Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Dy–Al bond lengths are 3.33 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.34 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.96–3.07 Å. Al is bonded to two equivalent Dy and four Ge atoms to form distorted AlDy2Ge4 tetrahedra that share corners with two equivalent GeDy4Al3 pentagonal bipyramids and edges with four equivalent AlDy2Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.56–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Dy and three equivalent Al atoms to form distorted GeDy4Al3 pentagonal bipyramids that share corners with two equivalent AlDy2Ge4 tetrahedra and edges with six equivalent GeDy4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Al, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlGe by Materials Project

AlDyGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Dy–Al bond lengths are 3.19 Å. There are a spread of Dy–Ge bond distances ranging from 2.95–3.09 Å. Al is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. All Al–Ge bond lengths are 2.74 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Al atoms.

36 MATERIALS SCIENCE↗