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Results for “F-O-P-Sn”

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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sn3PO4F3 by Materials Project

Sn3F3PO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two equivalent F1- atoms. There are one shorter (2.15 Å) and one longer (2.59 Å) Sn–O bond lengths. There are one shorter (2.12 Å) and one longer (2.33 Å) Sn–F bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPO3F by Materials Project

SnPO3F crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SnPO3F sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.22 Å. P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.53 Å) P–O bond length. The P–F bond length is 1.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPO4F by Materials Project

SnPO4F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sn4+ is bonded to four O2- and two equivalent F1- atoms to form SnO4F2 octahedra that share corners with two equivalent SnO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Sn–O bond distances ranging from 2.01–2.03 Å. Both Sn–F bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO4F2 octahedra. The corner-sharing octahedra tilt angles range from 36–40°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. F1- is bonded in a bent 150 degrees geometry to two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPOF7 by Materials Project

SnPOF7 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four SnPOF7 clusters. Sn4+ is bonded to one O2- and five F1- atoms to form distorted SnOF5 octahedra that share a cornercorner with one POF3 tetrahedra and an edgeedge with one SnOF5 octahedra. The Sn–O bond length is 2.18 Å. There are a spread of Sn–F bond distances ranging from 1.93–2.15 Å. P5+ is bonded to one O2- and three F1- atoms to form POF3 tetrahedra that share a cornercorner with one SnOF5 octahedra. The corner-sharing octahedral tilt angles are 34°. The P–O bond length is 1.47 Å. There is one shorter (1.52 Å) and two longer (1.53 Å) P–F bond length. O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sn4+ atom. In the sixth F1- site, F1- is bonded in a water-like geometry to two equivalent Sn4+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗