Materials Data on La4Al6O15 by Materials Project

Abstract

La4Al6O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.94 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–3.00 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.94 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–3.02 Å. In the sixth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.94 Å. In the seventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–3.00 Å. In the eighth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.94 Å. There are eleven 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 1.76–1.78 Å. In the second 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 1.75–1.77 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the fourth 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 1.76–1.78 Å. In the fifth 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 1.75–1.77 Å. In the sixth Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the seventh Al3+ site, Al3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.82 Å. In the eighth 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 1.75–1.77 Å. In the ninth 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 1.76–1.78 Å. In the tenth 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 1.75–1.77 Å. In the eleventh 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 1.76–1.78 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the eleventh O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two equivalent Al3+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the seventeenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two equivalent Al3+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent La3+ and two Al3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Al3+ atom. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one Al3+ atom. In the twenty-third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. The O–Al bond length is 1.77 Å. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Al3+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two La3+ and two Al3+ atoms. The O–Al bond length is 1.77 Å. In the twenty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two Al3+ atoms. In the thirtieth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two Al3+ atoms.