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Materials Data on SbN2F5 by Materials Project

N2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SbF5 clusters. In each SbF5 cluster, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There is one shorter (1.87 Å) and four longer (1.90 Å) Sb–F bond length. 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↗

Materials Data on SbN2F5 by Materials Project

N2SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SbF5 clusters. In each SbF5 cluster, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.90 Å. There are five 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. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SbN2F5 by Materials Project

N2SbF5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules and four SbF5 clusters. In each SbF5 cluster, Sb3+ is bonded in a distorted trigonal bipyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.90 Å. There are three 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. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SbNF4 by Materials Project

N2SbF3SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four antimony trifluoride molecules, and four SbF5 clusters. In each SbF5 cluster, Sb3+ is bonded in a trigonal bipyramidal geometry to five F1- atoms. There is four shorter (1.89 Å) and one longer (1.90 Å) Sb–F bond length. There are five 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. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Sb3NF10 by Materials Project

Sb3NF10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb3NF10 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Sb+4.33+ sites. In the first Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form distorted corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.48 Å. In the second Sb+4.33+ site, Sb+4.33+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.94–2.26 Å. In the third Sb+4.33+ site, Sb+4.33+ is bonded to five F1- atoms to form corner-sharing SbF5 square pyramids. There are a spread of Sb–F bond distances ranging from 1.91–2.29 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of N–F bond distances ranging from 2.74–2.92 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Sb+4.33+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb+4.33+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and one N3- atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+4.33+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+4.33+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb+4.33+ and two equivalent N3- atoms.

36 MATERIALS SCIENCE↗