Materials Data on La10Mg(Ga3O10)3 by Materials Project

Abstract

MgLa10(Ga3O10)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six GaO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three shorter (2.06 Å) and three longer (2.07 Å) Mg–O bond lengths. There are ten inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.88 Å. In the second La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.84 Å. In the third La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.87 Å. In the fourth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.87 Å. In the fifth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.85 Å. In the sixth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.87 Å. In the seventh La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.88 Å. In the eighth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.41–2.89 Å. In the ninth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.41–2.83 Å. In the tenth La site, La is bonded in a 3-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.40–2.87 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded to six O atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Ga–O bond distances ranging from 2.00–2.03 Å. In the second Ga site, Ga is bonded to six O atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Ga–O bond distances ranging from 1.99–2.03 Å. In the third Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share a cornercorner with one MgO6 octahedra and corners with five GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Ga–O bond distances ranging from 1.97–2.03 Å. In the fourth Ga site, Ga is bonded to six O atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Ga–O bond distances ranging from 2.00–2.02 Å. In the fifth Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share a cornercorner with one MgO6 octahedra and corners with five GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Ga–O bond distances ranging from 1.96–2.04 Å. In the sixth Ga site, Ga is bonded to six O atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Ga–O bond distances ranging from 1.99–2.02 Å. In the seventh Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share a cornercorner with one MgO6 octahedra and corners with five GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Ga–O bond distances ranging from 1.97–2.03 Å. In the eighth Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share a cornercorner with one MgO6 octahedra and corners with five GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Ga–O bond distances ranging from 1.96–2.03 Å. In the ninth Ga site, Ga is bonded to six O atoms to form GaO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–23°. There are a spread of Ga–O bond distances ranging from 1.96–2.04 Å. There are thirty inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three La and two Ga atoms. In the second O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the third O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the fourth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the fifth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the sixth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to three La and two Ga atoms. In the eighth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the ninth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the tenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the eleventh O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the twelfth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the thirteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the fourteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the fifteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the sixteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the seventeenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the eighteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the nineteenth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the twentieth O site, O is bonded in a 3-coordinate geometry to three La and two Ga atoms. In the twenty-first O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the twenty-second O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-third O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-fourth O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-fifth O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-sixth O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-seventh O site, O is bonded in a 5-coordinate geometry to one Mg, three La, and one Ga atom. In the twenty-eighth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the twenty-ninth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms. In the thirtieth O site, O is bonded in a 5-coordinate geometry to three La and two Ga atoms.