Materials Data on LiAg2F4 by Materials Project

LiAg2F4 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. In the second Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.98 Å) Li–F bond length. In the third Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.97 Å) Li–F bond length. In the fourth Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. There are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.57 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.16–2.78 Å. In the third Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.16–2.74 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms.