Materials Data on MgTiF5 by Materials Project

Kristin Persson
MgTiF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded to seven F1- atoms to form distorted MgF7 pentagonal bipyramids that share corners with four equivalent TiF6 octahedra, edges with two equivalent TiF6 octahedra, and edges with two equivalent MgF7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 5–35°. There are a spread of Mg–F bond distances ranging from 1.97–2.53 Å. Ti3+ is bonded to six F1- atoms to...
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