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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 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↗