DOI: 10.17188/1202559
title: Materials Data on Sn15Os3O14 by Materials Project

description: Os3Sn15O14 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six Sn+2.27+ atoms to form OsSn6 octahedra that share corners with four OsSn6 octahedra and corners with four OSn4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Os–Sn bond distances ranging from 2.60–2.65 Å. In the second Os2- site, Os2- is bonded to six Sn+2.27+ atoms to form OsSn6 octahedra that share corners with two equivalent OsSn6 octahedra and corners with seven OSn4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Os–Sn bond distances ranging from 2.57–2.63 Å. In the third Os2- site, Os2- is bonded to six Sn+2.27+ atoms to form OsSn6 octahedra that share corners with two equivalent OsSn6 octahedra, corners with six OSn4 tetrahedra, and an edgeedge with one OSn4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Os–Sn bond distances ranging from 2.60–2.67 Å. There are eleven inequivalent Sn+2.27+ sites. In the first Sn+2.27+ site, Sn+2.27+ is bonded in a 4-coordinate geometry to two Os2- and two O2- atoms. There are one shorter (2.15 Å) and one longer (2.35 Å) Sn–O bond lengths. In the second Sn+2.27+ site, Sn+2.27+ is bonded in a 5-coordinate geometry to one Os2- and four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.35 Å. In the third Sn+2.27+ site, Sn+2.27+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.10 Å) and two longer (2.12 Å) Sn–O bond lengths. In the fourth Sn+2.27+ site, Sn+2.27+ is bonded in a 4-coordinate geometry to two Os2- and two O2- atoms. There are one shorter (2.19 Å) and one longer (2.39 Å) Sn–O bond lengths. In the fifth Sn+2.27+ site, Sn+2.27+ is bonded in a 5-coordinate geometry to one Os2- and four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.34 Å. In the sixth Sn+2.27+ site, Sn+2.27+ is bonded in a 3-coordinate geometry to one Os2- and three O2- atoms. There are two shorter (2.13 Å) and one longer (2.18 Å) Sn–O bond lengths. In the seventh Sn+2.27+ site, Sn+2.27+ is bonded in a 5-coordinate geometry to one Os2- and four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.35 Å. In the eighth Sn+2.27+ site, Sn+2.27+ is bonded in a 5-coordinate geometry to one Os2- and four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.30 Å. In the ninth Sn+2.27+ site, Sn+2.27+ is bonded in a 5-coordinate geometry to one Os2- and four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.28 Å. In the tenth Sn+2.27+ site, Sn+2.27+ is bonded in a 4-coordinate geometry to one Os2- and three O2- atoms. There are one shorter (2.09 Å) and two longer (2.11 Å) Sn–O bond lengths. In the eleventh Sn+2.27+ site, Sn+2.27+ is bonded in a 4-coordinate geometry to one Os2- and three O2- atoms. There are two shorter (2.06 Å) and one longer (2.11 Å) Sn–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sn+2.27+ atoms to form distorted OSn4 tetrahedra that share corners with four OsSn6 octahedra and corners with three OSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–64°. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.27+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn+2.27+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn+2.27+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn+2.27+ atoms. In the sixth O2- site, O2- is bonded to four Sn+2.27+ atoms to form distorted OSn4 tetrahedra that share corners with four OsSn6 octahedra and an edgeedge with one OsSn6 octahedra. The corner-sharing octahedra tilt angles range from 50–70°. In the seventh O2- site, O2- is bonded to four Sn+2.27+ atoms to form distorted OSn4 tetrahedra that share corners with three OsSn6 octahedra and corners with five OSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–68°. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Sn+2.27+ atoms. In the ninth O2- site, O2- is bonded to four Sn+2.27+ atoms to form distorted OSn4 tetrahedra that share corners with three OsSn6 octahedra and corners with five OSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sn+2.27+ atoms.