Materials Data on LiLa8V8O32 by Materials Project
LiLa8V8O32 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one La3+ and five O2- atoms. The Li–La bond length is 2.56 Å. There are a spread of Li–O bond distances ranging from 1.77–2.34 Å. There are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–3.03 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.51–3.01 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–3.04 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.98 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to one Li1+ and eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.76 Å. In the sixth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.90 Å. In the seventh La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.94 Å. In the eighth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.98 Å. There are eight inequivalent V+4.88+ sites. In the first V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.79–1.86 Å. In the second V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.75 Å) V–O bond length. In the third V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the fourth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. In the fifth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. In the sixth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. In the seventh V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the eighth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.77 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one V+4.88+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three La3+, and one V+4.88+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one V+4.88+ atom. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, two La3+, and one V+4.88+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one V+4.88+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the thirty-first O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirty-second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom.