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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3(AlGe)2 by Materials Project

Sr3(AlGe)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and five equivalent Ge atoms. Both Sr–Al bond lengths are 3.34 Å. There are four shorter (3.34 Å) and one longer (3.38 Å) Sr–Ge bond lengths. In the second Sr site, Sr is bonded to eight equivalent Al and four equivalent Ge atoms to form a mixture of edge and face-sharing SrAl8Ge4 cuboctahedra. All Sr–Al bond lengths are 3.48 Å. All Sr–Ge bond lengths are 3.66 Å. Al is bonded in a 2-coordinate geometry to six Sr, one Al, and two equivalent Ge atoms. The Al–Al bond length is 2.58 Å. Both Al–Ge bond lengths are 2.57 Å. Ge is bonded in a 2-coordinate geometry to seven Sr and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAlGe by Materials Project

SrAlGe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to six equivalent Al and six equivalent Ge atoms to form a mixture of face and edge-sharing SrAl6Ge6 cuboctahedra. All Sr–Al bond lengths are 3.45 Å. All Sr–Ge bond lengths are 3.45 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Al–Ge bond lengths are 2.50 Å. Ge is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3(AlGe2)2 by Materials Project

Sr3(AlGe2)2 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to two equivalent Al and seven Ge atoms. Both Sr–Al bond lengths are 3.30 Å. There are a spread of Sr–Ge bond distances ranging from 3.11–3.39 Å. In the second Sr site, Sr is bonded to six Ge atoms to form distorted edge-sharing SrGe6 octahedra. There are two shorter (3.29 Å) and four longer (3.32 Å) Sr–Ge bond lengths. Al is bonded in a 4-coordinate geometry to two equivalent Sr and four Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.55–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Sr, one Al, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.66 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Sr and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr14Al8Ge3 by Materials Project

Sr14Al8Ge3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are seven inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to two Al and three equivalent Ge atoms. There are one shorter (3.43 Å) and one longer (3.44 Å) Sr–Al bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.29–3.35 Å. In the second Sr site, Sr is bonded in a 5-coordinate geometry to three Al and two equivalent Ge atoms. There are a spread of Sr–Al bond distances ranging from 3.50–3.59 Å. There are one shorter (3.29 Å) and one longer (3.73 Å) Sr–Ge bond lengths. In the third Sr site, Sr is bonded to three Al and one Ge atom to form distorted SrAl3Ge tetrahedra that share a cornercorner with one SrGe6 octahedra and corners with two equivalent SrAl3Ge tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Sr–Al bond distances ranging from 3.32–3.57 Å. The Sr–Ge bond length is 3.42 Å. In the fourth Sr site, Sr is bonded in a 6-coordinate geometry to five Al and one Ge atom. There are a spread of Sr–Al bond distances ranging from 3.36–3.55 Å. The Sr–Ge bond length is 3.28 Å. In the fifth Sr site, Sr is bonded in a 6-coordinate geometry to three equivalent Al and three equivalent Ge atoms. All Sr–Al bond lengths are 3.47 Å. All Sr–Ge bond lengths are 3.32 Å. In the sixth Sr site, Sr is bonded in a 12-coordinate geometry to six equivalent Al atoms. All Sr–Al bond lengths are 3.74 Å. In the seventh Sr site, Sr is bonded to six equivalent Ge atoms to form distorted corner-sharing SrGe6 octahedra. All Sr–Ge bond lengths are 3.54 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to five Sr and three Al atoms. There are two shorter (2.70 Å) and one longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to six Sr and three Al atoms. There are two shorter (2.70 Å) and one longer (2.73 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. In the fourth Al site, Al is bonded in a 9-coordinate geometry to six Sr and three equivalent Al atoms. Ge is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Al3Ge by Materials Project

Sr2Al3Ge is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded to nine Al and three equivalent Ge atoms to form a mixture of edge and face-sharing SrAl9Ge3 cuboctahedra. There are six shorter (3.50 Å) and three longer (3.52 Å) Sr–Al bond lengths. All Sr–Ge bond lengths are 3.52 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Al atoms. All Al–Al bond lengths are 2.55 Å. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Ge atoms. All Al–Ge bond lengths are 2.55 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Al atoms. Ge is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Al7Ge by Materials Project

Sr2Al7Ge crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to twelve Al and four equivalent Ge atoms. There are a spread of Sr–Al bond distances ranging from 3.42–3.57 Å. All Sr–Ge bond lengths are 3.42 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Sr–Al bond distances ranging from 3.42–3.57 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four Sr, two equivalent Al, and two equivalent Ge atoms. Both Al–Al bond lengths are 2.66 Å. Both Al–Ge bond lengths are 2.68 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Sr and four Al atoms. All Al–Al bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms. The Al–Al bond length is 2.63 Å. In the fourth Al site, Al is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms. In the fifth Al site, Al is bonded in a distorted single-bond geometry to four equivalent Sr, four equivalent Al, and one Ge atom. The Al–Ge bond length is 2.61 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AlGe)2 by Materials Project

Sr(AlGe)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr is bonded to six equivalent Ge atoms to form SrGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent SrGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Sr–Ge bond lengths are 3.19 Å. Al is bonded to four equivalent Ge atoms to form AlGe4 tetrahedra that share corners with six equivalent SrGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent SrGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–50°. There are three shorter (2.58 Å) and one longer (2.65 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Sr and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeSr3Al4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗