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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3Al2(SiO4)3 by Materials Project

Sr3Al2(SiO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.64 Å) Sr–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.98 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Si–O bond lengths are 1.67 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Al3+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Al2(HO)12 by Materials Project

Sr3Al2(OH)12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.60 Å) and four longer (2.69 Å) Sr–O bond lengths. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.94 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Al3+, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Al2 by Materials Project

Sr3Al2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to three equivalent Al atoms. All Sr–Al bond lengths are 3.20 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six Al atoms. There are three shorter (3.57 Å) and three longer (3.61 Å) Sr–Al bond lengths. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six Al atoms. There are three shorter (3.54 Å) and three longer (3.58 Å) Sr–Al bond lengths. In the fourth Sr site, Sr is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Sr–Al bond distances ranging from 3.37–3.66 Å. In the fifth Sr site, Sr is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Sr–Al bond distances ranging from 3.35–3.50 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to six Sr and two equivalent Al atoms. Both Al–Al bond lengths are 2.77 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to seven Sr and two equivalent Al atoms. Both Al–Al bond lengths are 2.69 Å.

36 MATERIALS SCIENCE↗