Materials Data on Mo8O23 by Materials Project

Abstract

Mo8O23 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are sixteen inequivalent Mo+5.75+ sites. In the first Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. In the second Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the third Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the fourth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.34 Å. In the fifth Mo+5.75+ site, Mo+5.75+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the sixth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the seventh Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the eighth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the ninth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. In the tenth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. In the eleventh Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the twelfth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the thirteenth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.32 Å. In the fourteenth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the fifteenth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.34 Å. In the sixteenth Mo+5.75+ site, Mo+5.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. There are forty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo+5.75+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.75+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the eleventh O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo+5.75+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.75+ atoms. In the twentieth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.75+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the twenty-fourth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the twenty-fifth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the twenty-eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo+5.75+ atoms. In the twenty-ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo+5.75+ atoms. In the thirtieth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the thirty-first O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the thirty-fourth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the thirty-fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.75+ atoms. In the thirty-sixth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the thirty-seventh O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the thirty-eighth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms. In the thirty-ninth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the fortieth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.75+ atoms. In the forty-first O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the forty-second O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the forty-third O2- site, O2- is bonded in a distorted single-bond geometry to two Mo+5.75+ atoms. In the forty-fourth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the forty-fifth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.75+ atoms. In the forty-sixth O2- site, O2- is bonded in a linear geometry to two Mo+5.75+ atoms.