DOI: 10.17188/1750923
title: Materials Data on Sr6La14Mn17(SnO20)3 by Materials Project

description: Sr6La14Mn17(SnO20)3 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 3-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.90 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.87 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 2.51–3.26 Å. In the fourth Sr site, Sr is bonded to twelve O atoms to form distorted SrO12 cuboctahedra that share corners with nine SrO12 cuboctahedra and faces with eight MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.56–3.10 Å. In the fifth Sr site, Sr is bonded to twelve O atoms to form distorted SrO12 cuboctahedra that share corners with nine SrO12 cuboctahedra and faces with eight MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.55–3.09 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 2.49–3.23 Å. There are fourteen 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 2.34–2.91 Å. In the second La site, La is bonded in a 9-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.85 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 2.39–2.89 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 2.37–3.00 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 2.39–2.89 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 2.37–2.90 Å. In the seventh La site, La is bonded in a 3-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.39–2.99 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 2.38–2.89 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 2.39–2.93 Å. In the tenth La site, La is bonded in a 12-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.39–2.84 Å. In the eleventh 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 2.45–3.19 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 2.46–2.83 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 2.43–3.17 Å. In the fourteenth 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 2.38–3.02 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 SnO6 octahedra. The corner-sharing octahedra tilt angles range from 19–29°. There are a spread of Mn–O bond distances ranging from 1.93–2.12 Å. In the second Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–28°. There are a spread of Mn–O bond distances ranging from 1.95–2.16 Å. In the third Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–30°. There are a spread of Mn–O bond distances ranging from 2.03–2.09 Å. In the fourth 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 1.99–2.02 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 22–24°. There are a spread of Mn–O bond distances ranging from 2.01–2.08 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 22–24°. There are a spread of Mn–O bond distances ranging from 2.00–2.03 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 23–24°. There are a spread of Mn–O bond distances ranging from 2.02–2.08 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 23–24°. There are a spread of Mn–O bond distances ranging from 1.97–2.01 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 13–23°. There are a spread of Mn–O bond distances ranging from 1.99–2.08 Å. In the tenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and a faceface with one SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Mn–O bond distances ranging from 1.98–2.04 Å. In the eleventh Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with four SrO12 cuboctahedra. 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 MnO6 octahedra that share corners with six MnO6 octahedra and faces with four SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 14–20°. There are a spread of Mn–O bond distances ranging from 1.99–2.03 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 13–22°. There are a spread of Mn–O bond distances ranging from 1.98–2.06 Å. In the fourteenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and a faceface with one SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Mn–O bond distances ranging from 1.98–2.06 Å. In the fifteenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with three equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Mn–O bond distances ranging from 1.97–2.01 Å. In the sixteenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six MnO6 octahedra and faces with three equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Mn–O bond distances ranging from 1.99–2.02 Å. In the seventeenth Mn site, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 17–25°. There are a spread of Mn–O bond distances ranging from 1.94–2.04 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 19–29°. There are a spread of Sn–O bond distances ranging from 2.03–2.12 Å. In the second Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 19–27°. There are a spread of Sn–O bond distances ranging from 2.03–2.14 Å. In the third Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–30°. There are a spread of Sn–O bond distances ranging from 2.03–2.08 Å. There are sixty inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to one Sr, one La, one Mn, and one Sn atom. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, one Mn, and one Sn atom. In the third O site, O is bonded in a 5-coordinate geometry to one Sr, two equivalent La, one Mn, and one Sn atom. In the fourth O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, one Mn, and one Sn atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two La, one Mn, and one Sn atom. In the sixth O site, O is bonded in a 5-coordinate geometry to one Sr, two equivalent La, one Mn, and one Sn atom. In the seventh O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, one Mn, and one Sn atom. In the eighth O site, O is bonded in a 4-coordinate geometry to one Sr, one La, one Mn, and one Sn atom. In the ninth O site, O is bonded in a 5-coordinate geometry to one Sr, two equivalent La, one Mn, and one Sn atom. In the tenth O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, one Mn, and one Sn atom. In the eleventh O site, O is bonded in a 5-coordinate geometry to three La and two Mn atoms. In the twelfth O site, O is bonded in a 5-coordinate geometry to three La, one Mn, and one Sn atom. In the thirteenth O site, O is bonded in a 5-coordinate geometry to three La, one Mn, and one Sn atom. In the fourteenth O site, O is bonded in a 4-coordinate geometry to one Sr, one La, one Mn, and one Sn 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 Mn, and one Sn atom. In the seventeenth O site, O is bonded in a 5-coordinate geometry to three 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 three La and two Mn atoms. In the twentieth O site, O is bonded in a 3-coordinate geometry to three La, one Mn, and one Sn atom. In the twenty-first O site, O is bonded in a 3-coordinate geometry to three La and two Mn atoms. In the twenty-second O site, O is bonded in a 3-coordinate geometry to three 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 3-coordinate geometry to three La and two Mn atoms. In the twenty-fifth O site, O is bonded in a 5-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 three 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, two 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 5-coordinate geometry to three 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 o