Materials Data on Pr2SiC(NO2)2 by Materials Project

Abstract

Pr2SiC(NO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to four N3- and five O2- atoms. There are a spread of Pr–N bond distances ranging from 2.59–3.03 Å. There are a spread of Pr–O bond distances ranging from 2.49–2.62 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to two N3- and six O2- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Pr–N bond lengths. There are a spread of Pr–O bond distances ranging from 2.33–2.75 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Pr3+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Pr3+ and one C4+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pr3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Pr3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pr3+ and one Si4+ atom.