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Materials Data on Sr2MnTeO6 by Materials Project

Sr2MnTeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.07 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 18–19°. All Mn–O bond lengths are 2.17 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–19°. All Te–O bond lengths are 1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Mn2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one Mn2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Mn2+, and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SrMnTeO6 by Materials Project

SrMnTeO6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.69–2.71 Å. Mn4+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share edges with three equivalent TeO6 pentagonal pyramids. There is four shorter (1.96 Å) and two longer (1.97 Å) Mn–O bond length. Te6+ is bonded to six O2- atoms to form distorted TeO6 pentagonal pyramids that share edges with three equivalent MnO6 pentagonal pyramids. All Te–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Mn4+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Mn4+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Mn4+, and one Te6+ atom.

36 MATERIALS SCIENCE↗