Materials Data on LiV8F33 by Materials Project

Abstract

LiV8F33 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two LiV8F33 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is two shorter (1.90 Å) and one longer (1.91 Å) Li–F bond length. There are eight inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are a spread of V–F bond distances ranging from 1.74–2.00 Å. In the second V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of V–F bond distances ranging from 1.75–2.03 Å. In the third V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of V–F bond distances ranging from 1.75–2.03 Å. In the fourth V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of V–F bond distances ranging from 1.77–2.07 Å. In the fifth V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. There are a spread of V–F bond distances ranging from 1.77–2.06 Å. In the sixth V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 28–32°. There are a spread of V–F bond distances ranging from 1.74–2.00 Å. In the seventh V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 29–31°. There are a spread of V–F bond distances ranging from 1.74–2.00 Å. In the eighth V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of V–F bond distances ranging from 1.75–2.03 Å. There are thirty-three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the fifteenth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the twentieth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twenty-first F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twenty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the twenty-third F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the twenty-fourth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twenty-fifth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twenty-sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the twenty-seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the twenty-eighth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the twenty-ninth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the thirtieth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the thirty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the thirty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the thirty-third F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms.