DOI: 10.17188/1664769
title: Materials Data on Sr6La14Ti3Mn17O60 by Materials Project

description: Sr6La14Ti3Mn17O60 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.19 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.91 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.22 Å. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.09 Å. In the fifth Sr site, Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.10 Å. In the sixth Sr site, Sr is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.10 Å. There are fourteen inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to five O atoms. There are a spread of La–O bond distances ranging from 2.37–2.87 Å. In the second La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.33–3.23 Å. In the third La site, La is bonded in a 3-coordinate geometry to three O atoms. There are a spread of La–O bond distances ranging from 2.38–2.42 Å. In the fourth La site, La is bonded in a 12-coordinate geometry to five O atoms. There are a spread of La–O bond distances ranging from 2.40–3.05 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 2.39–2.87 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 2.37–2.86 Å. In the seventh La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.40–3.28 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 2.39–2.89 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 2.39–2.90 Å. In the tenth La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.39–3.28 Å. In the eleventh La site, La is bonded in a 3-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.43–3.17 Å. In the twelfth La site, La is bonded in a 12-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.47–2.83 Å. In the thirteenth La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.43–3.20 Å. In the fourteenth La site, La is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.40–3.35 Å. There are three inequivalent Ti sites. In the first Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–27°. There are a spread of Ti–O bond distances ranging from 1.87–2.12 Å. In the second Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Ti–O bond distances ranging from 1.83–2.15 Å. In the third Ti site, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–27°. There are a spread of Ti–O bond distances ranging from 1.91–2.01 Å. There are seventeen inequivalent Mn sites. In the first Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six TiO6 octahedra. The corner-sharing octahedra tilt angles range from 17–27°. There are a spread of Mn–O bond distances ranging from 1.93–2.17 Å. In the second Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six TiO6 octahedra. The corner-sharing octahedra tilt angles range from 14–23°. There are a spread of Mn–O bond distances ranging from 1.93–2.18 Å. In the third Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Mn–O bond distances ranging from 1.98–2.06 Å. In the fourth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with three equivalent TiO6 octahedra and corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–27°. There are a spread of Mn–O bond distances ranging from 1.97–2.16 Å. In the fifth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–23°. There are a spread of Mn–O bond distances ranging from 1.99–2.05 Å. In the sixth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. There are a spread of Mn–O bond distances ranging from 1.98–2.07 Å. In the seventh Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Mn–O bond distances ranging from 1.97–2.06 Å. In the eighth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Mn–O bond distances ranging from 1.98–2.05 Å. In the ninth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–22°. There are a spread of Mn–O bond distances ranging from 1.98–2.06 Å. In the tenth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–20°. There are a spread of Mn–O bond distances ranging from 1.98–2.02 Å. In the eleventh Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–20°. There are a spread of Mn–O bond distances ranging from 1.98–2.03 Å. In the twelfth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–22°. There are a spread of Mn–O bond distances ranging from 1.98–2.05 Å. In the thirteenth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–21°. There are a spread of Mn–O bond distances ranging from 1.97–2.07 Å. In the fourteenth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–20°. There are a spread of Mn–O bond distances ranging from 1.98–2.01 Å. In the fifteenth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–20°. There are a spread of Mn–O bond distances ranging from 1.97–2.00 Å. In the sixteenth Mn site, Mn is bonded to six O atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 14–21°. There are a spread of Mn–O bond distances ranging from 1.98–2.03 Å. In the seventeenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with three equivalent TiO6 octahedra and corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 11–21°. There are a spread of Mn–O bond distances ranging from 1.94–2.14 Å. There are sixty inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two Sr, two equivalent La, one Ti, and one Mn atom. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, two La, one Ti, and one Mn atom. In the third O site, O is bonded in a 1-coordinate geometry to one Sr, two equivalent La, one Ti, and one Mn atom. In the fourth O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, two La, one Ti, and one Mn atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Sr, one La, one Ti, and one Mn atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two Sr, two equivalent La, one Ti, and one Mn atom. In the seventh O site, O is bonded in a 6-coordinate geometry to two equivalent Sr, two La, one Ti, and one Mn atom. In the eighth O site, O is bonded in a 2-coordinate geometry to two equivalent Sr, two La, one Ti, and one Mn atom. In the ninth O site, O is bonded in a 2-coordinate geometry to one Sr, one Ti, and one Mn atom. In the tenth O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, two La, one Ti, and one Mn atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to one La and two Mn atoms. In the twelfth O site, O is bonded in a 3-coordinate geometry to one La, one Ti, and one Mn atom. In the thirteenth O site, O is bonded in a 5-coordinate geometry to one La, one Ti, and one Mn atom. In the fourteenth O site, O is bonded in a 6-coordinate geometry to one Sr, two La, one Ti, and one Mn atom. In the fifteenth O site, O is bonded in a 3-coordinate geometry to three La and two Mn atoms. In the sixteenth O site, O is bonded in a 5-coordinate geometry to three La, one Ti, and one Mn atom. In the seventeenth O site, O is bonded in a 3-coordinate geometry to two La and two Mn atoms. In the eighteenth O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the nineteenth O site, O is bonded in a 3-coordinate geometry to one La and two Mn atoms. In the twentieth O site, O is bonded in a 3-coordinate geometry to two La, one Ti, and one Mn atom. In the twenty-first O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the twenty-second O site, O is bonded in a 5-coordinate geometry to one La and two Mn atoms. In the twenty-third O site, O is bonded in a 3-coordinate geometry to three La and two Mn atoms. In the twenty-fourth O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the twenty-fifth O site, O is bonded in a 3-coordinate geometry to three La and two Mn atoms. In the twenty-sixth O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the twenty-seventh O site, O is bonded in a 5-coordinate geometry to four La and two Mn atoms. In the twenty-eighth O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the twenty-ninth O site, O is bonded in a 2-coordinate geometry to one Sr, three La, and two Mn atoms. In the thirtieth O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the thirty-first O site, O is bonded in a 3-coordinate geometry to four La and two Mn atoms. In the thirty-second O site, O is bonded in a 3-coordinate geometry to three La and two Mn atoms. In the thirty-third O site, O is bonded in a 3-coordinate geometry to one Sr, three La, and two Mn atoms. In the thirty-fourth O site, O is bonded in a 2-coordinate geometry to three La and two Mn atoms. In the thirty-fifth O site, O is bonded in a 5-coordinate geometry to two Sr, two equivalent La, and two Mn atoms. In the thirty-sixth O site, O is bonded in a 6-coordinate geometry to one Sr, three La, and two Mn atoms. In the thirty-seventh O site, O is bonded in a 3-coordinate geometry to two equivalent Sr, two La, and two Mn atoms. In the thirty-eighth O site, O is bonded in a 2-coordinate geometry to four La and two Mn atoms. In the thirty-ninth O site, O is bonded in a