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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YSnF7 by Materials Project

YSnF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.19–2.39 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSnF7 by Materials Project

YSnF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.18–2.44 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Y3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Y3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSnF5 by Materials Project

YSnF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded to six F1- atoms to form YF6 octahedra that share corners with two equivalent YF6 octahedra and corners with six equivalent SnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of Y–F bond distances ranging from 2.16–2.22 Å. Sn2+ is bonded to six F1- atoms to form SnF6 octahedra that share corners with six equivalent YF6 octahedra and edges with two equivalent SnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are two shorter (2.30 Å) and four longer (2.58 Å) Sn–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent Sn2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to one Y3+ and one Sn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent Sn2+ atoms. The F–Y bond length is 2.22 Å. Both F–Sn bond lengths are 2.58 Å. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent Sn2+ atoms. The F–Y bond length is 2.22 Å. Both F–Sn bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗