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Materials Data on SbNClF3 by Materials Project

N2(SbClF3)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight ammonia molecules and two SbClF3 sheets oriented in the (0, 0, 1) direction. In each SbClF3 sheet, Sb3+ is bonded in a 5-coordinate geometry to two equivalent Cl1- and three F1- atoms. There are one shorter (2.67 Å) and one longer (2.79 Å) Sb–Cl bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–1.94 Å. Cl1- is bonded in a 8-coordinate geometry to two equivalent Sb3+ and six F1- atoms. There are a spread of Cl–F bond distances ranging from 2.94–3.26 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and two equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ and one Cl1- atom.

36 MATERIALS SCIENCE↗

Materials Data on SbN2Cl3F2 by Materials Project

N2SbCl3F2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules and eight SbCl3F2 clusters. In each SbCl3F2 cluster, Sb3+ is bonded in a distorted square pyramidal geometry to three Cl1- and two F1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.32–2.37 Å. There is one shorter (1.89 Å) and one longer (1.92 Å) Sb–F bond length. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗