Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Al-Cl-O-Sr”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3Al2Cl2O5 by Materials Project

Sr3Al2O5Cl2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.54 Å. There are a spread of Sr–Cl bond distances ranging from 3.11–3.31 Å. In the second Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.54 Å. There are a spread of Sr–Cl bond distances ranging from 3.11–3.39 Å. In the third Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to three O2- and four Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.54 Å. There are a spread of Sr–Cl bond distances ranging from 3.11–3.40 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.78 Å) Al–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, two Al3+, and one Cl1- atom. The O–Cl bond length is 3.42 Å. In the second O2- site, O2- is bonded to three Sr2+, one Al3+, and one Cl1- atom to form distorted corner-sharing OSr3AlCl tetrahedra. The O–Cl bond length is 3.02 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, two Al3+, and one Cl1- atom. The O–Cl bond length is 3.34 Å. In the fourth O2- site, O2- is bonded to three Sr2+, one Al3+, and one Cl1- atom to form distorted corner-sharing OSr3AlCl tetrahedra. The O–Cl bond length is 3.06 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, two Al3+, and one Cl1- atom. The O–Cl bond length is 3.28 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 7-coordinate geometry to six Sr2+ and four O2- atoms. In the second Cl1- site, Cl1- is bonded in a 7-coordinate geometry to six Sr2+ and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr6Al7ClO16 by Materials Project

Sr6Al7O16Cl crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- and one Cl1- atom to form distorted SrClO6 pentagonal bipyramids that share a cornercorner with one SrClO6 pentagonal bipyramid, corners with four AlO4 tetrahedra, and edges with three AlO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.55–2.67 Å. The Sr–Cl bond length is 2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.60 Å. In the third Sr2+ site, Sr2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.62 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent SrClO6 pentagonal bipyramids. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent SrClO6 pentagonal bipyramids and corners with four equivalent AlO4 tetrahedra. All Al–O bond lengths are 1.78 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share a cornercorner with one SrClO6 pentagonal bipyramid, corners with three AlO4 tetrahedra, and an edgeedge with one SrClO6 pentagonal bipyramid. There is one shorter (1.74 Å) and three longer (1.80 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms. In the second O2- site, O2- is bonded to two Sr2+ and two Al3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Al2 trigonal pyramids. In the third O2- site, O2- is bonded to two Sr2+ and two Al3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Al2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Al3+ atom. Cl1- is bonded in a linear geometry to two equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗