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Materials Data on Tc2Pt(NO2)4 by Materials Project

Tc2Pt(NO2)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Tc2Pt(NO2)4 ribbon oriented in the (0, 1, 0) direction. Tc7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Tc–O bond distances ranging from 1.72–2.00 Å. Pt6+ is bonded in a square co-planar geometry to four N1- atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Pt–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one O2- atom. The N–O bond length is 1.25 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt6+ and one O2- atom. The N–O bond length is 1.28 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Tc7+ and one N1- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tc7+ and one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Tc7+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Tc2Pt(NO2)4 by Materials Project

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

36 MATERIALS SCIENCE↗