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Results for “F-Sn-Tl”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tl2SnF6 by Materials Project

Tl2SnF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form distorted TlF12 cuboctahedra that share corners with six equivalent TlF12 cuboctahedra, corners with three equivalent SnF6 octahedra, faces with eight equivalent TlF12 cuboctahedra, and faces with three equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Tl–F bond distances ranging from 2.98–3.27 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with six equivalent TlF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlSnF7 by Materials Project

TlSnF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.20–2.42 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Tl3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Tl3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl5SnF9 by Materials Project

Tl5SnF9 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–3.43 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.68–3.39 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.83–3.10 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are two shorter (2.00 Å) and four longer (2.02 Å) Sn–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four Tl1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the third F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner, edge, and face-sharing FTl5 square pyramids. In the fourth F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing FTl5 square pyramids. In the fifth F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner and edge-sharing FTl5 square pyramids. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlSnF3 by Materials Project

TlSnF3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.75–3.02 Å. In the second Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.73–3.28 Å. In the third Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.76–3.31 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.01 Å. There are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.32 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.06–2.34 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.08–2.39 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.09–2.33 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Tl1+ and two Sn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Tl1+ and two equivalent Sn2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to four Tl1+ and one Sn2+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to two Tl1+ and one Sn2+ atom. In the tenth F1- site, F1- is bonded in a 3-coordinate geometry to two Tl1+ and two equivalent Sn2+ atoms. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to two Tl1+ and two Sn2+ atoms. In the twelfth F1- site, F1- is bonded in a 1-coordinate geometry to three Tl1+ and one Sn2+ atom.

36 MATERIALS SCIENCE↗