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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
(TbF7)4F2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four hydrofluoric acid molecules and four TbF7 ribbons oriented in the (0, 0, 1) direction. In each TbF7 ribbon, there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted hexagonal bipyramidal geometry to eight F atoms. There are a spread of Tb–F bond distances ranging from 2.22–2.33 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Tb–F bond distances ranging from 2.20–2.46 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Tb atom. In the second F site, F is bonded in a single-bond geometry to one Tb atom. In the third F site, F is bonded in a linear geometry to two Tb atoms. In the fourth F site, F is bonded in a single-bond geometry to one Tb atom. In the fifth F site, F is bonded in a single-bond geometry to one Tb atom. In the sixth F site, F is bonded in a single-bond geometry to one Tb atom. In the seventh F site, F is bonded in a single-bond geometry to one Tb atom.