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Results for “F-K-Sb”

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KSb4F13 by Materials Project

KSb4F13 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.72 Å) and four longer (3.01 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.54 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Sb3+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSb2F7 by Materials Project

KSb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one KSb2F7 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.72–3.32 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.97–2.56 Å. In the second Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.13 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SbF5 by Materials Project

K2SbF5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two K2SbF5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of K–F bond distances ranging from 2.91–3.32 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are four shorter (2.61 Å) and one longer (2.72 Å) K–F bond lengths. Sb3+ is bonded in a square pyramidal geometry to five F1- atoms. There are one shorter (1.99 Å) and four longer (2.12 Å) Sb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to five K1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbF6 by Materials Project

KSbF6 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All K–F bond lengths are 2.74 Å. Sb5+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Sb–F bond lengths are 1.92 Å. F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbF6 by Materials Project

KSbF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.66 Å) and four longer (3.14 Å) K–F bond lengths. Sb5+ is bonded in an octahedral geometry to six F1- atoms. All Sb–F bond lengths are 1.92 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSb4F13 by Materials Project

KSb4F13 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two KSb4F13 ribbons oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are eight shorter (2.81 Å) and two longer (2.98 Å) K–F bond lengths. Sb3+ is bonded in a 3-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.75 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one F1- atom. The F–F bond length is 2.75 Å. 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 to two equivalent K1+, four equivalent Sb3+, and eight equivalent F1- atoms to form distorted corner-sharing FK2Sb4F8 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SbF5 by Materials Project

K2SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.81–3.15 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.77–3.32 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.62–3.03 Å. In the fourth K1+ site, K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.81–3.28 Å. In the fifth K1+ site, K1+ is bonded to six F1- atoms to form distorted KF6 pentagonal pyramids that share corners with six SbF5 square pyramids. There are a spread of K–F bond distances ranging from 2.60–2.97 Å. In the sixth K1+ site, K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.58–2.98 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with three equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. In the second Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with two equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.14 Å. In the third Sb3+ site, Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share a cornercorner with one KF6 pentagonal pyramid. There are a spread of Sb–F bond distances ranging from 1.99–2.14 Å. There are fifteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form distorted corner-sharing FK3Sb tetrahedra. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the ninth F1- site, F1- is bonded in a 2-coordinate geometry to four K1+ and one Sb3+ atom. In the tenth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the eleventh F1- site, F1- is bonded in a 4-coordinate geometry to four K1+ and one Sb3+ atom. In the twelfth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the thirteenth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fourteenth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fifteenth F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SbF5 by Materials Project

K2SbF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six F1- atoms to form distorted KF6 pentagonal pyramids that share corners with six equivalent SbF5 square pyramids and an edgeedge with one KF6 pentagonal pyramid. There are a spread of K–F bond distances ranging from 2.62–2.85 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.76–3.14 Å. Sb3+ is bonded to five F1- atoms to form SbF5 square pyramids that share corners with six equivalent KF6 pentagonal pyramids. There are a spread of Sb–F bond distances ranging from 1.99–2.16 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to three K1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded to three K1+ and one Sb3+ atom to form distorted corner-sharing FK3Sb tetrahedra.

36 MATERIALS SCIENCE↗