skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mo9O26 by Materials Project

Abstract

Mo9O26 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo9O26 sheet oriented in the (-1, 0, 1) direction. there are eighteen inequivalent Mo+5.78+ sites. In the first Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.35 Å. In the second Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.43 Å. In the third Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.36 Å. In the fourth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. In the fifth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.45 Å. In the sixth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. Inmore » the seventh Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.39 Å. In the eighth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. In the ninth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. In the tenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.40 Å. In the eleventh Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.69–2.44 Å. In the twelfth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.43 Å. In the thirteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.49 Å. In the fourteenth Mo+5.78+ site, Mo+5.78+ 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 fifteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. In the sixteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.42 Å. In the seventeenth Mo+5.78+ site, Mo+5.78+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.78 Å) and three longer (1.80 Å) Mo–O bond length. In the eighteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.11 Å. There are fifty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Mo+5.78+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the fifteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.78+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Mo+5.78+ atoms. In the twentieth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to three Mo+5.78+ atoms. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-sixth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the twenty-eighth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the twenty-ninth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-first O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the thirty-third O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.78+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mo+5.78+ atoms. In the thirty-fifth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the thirty-seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the thirty-eighth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-ninth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the fortieth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the forty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.78+ atoms. In the forty-second O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-fourth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-sixth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-seventh O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-eighth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the forty-ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo+5.78+ atoms. In the fiftieth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the fifty-first O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the fifty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Mo+5.78+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640818
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mo9O26; Mo-O
OSTI Identifier:
1279976
DOI:
10.17188/1279976

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mo9O26 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279976.
Persson, Kristin, & Project, Materials. Materials Data on Mo9O26 by Materials Project. United States. doi:10.17188/1279976.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mo9O26 by Materials Project". United States. doi:10.17188/1279976. https://www.osti.gov/servlets/purl/1279976. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1279976,
title = {Materials Data on Mo9O26 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mo9O26 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Mo9O26 sheet oriented in the (-1, 0, 1) direction. there are eighteen inequivalent Mo+5.78+ sites. In the first Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.35 Å. In the second Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.43 Å. In the third Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.36 Å. In the fourth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. In the fifth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.45 Å. In the sixth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. In the seventh Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.39 Å. In the eighth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.40 Å. In the ninth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. In the tenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.40 Å. In the eleventh Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.69–2.44 Å. In the twelfth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.43 Å. In the thirteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.49 Å. In the fourteenth Mo+5.78+ site, Mo+5.78+ 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 fifteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.41 Å. In the sixteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.42 Å. In the seventeenth Mo+5.78+ site, Mo+5.78+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.78 Å) and three longer (1.80 Å) Mo–O bond length. In the eighteenth Mo+5.78+ site, Mo+5.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.11 Å. There are fifty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Mo+5.78+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirteenth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the fifteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.78+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Mo+5.78+ atoms. In the twentieth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to three Mo+5.78+ atoms. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the twenty-sixth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Mo+5.78+ atoms. In the twenty-eighth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the twenty-ninth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-first O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the thirty-second O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the thirty-third O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.78+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mo+5.78+ atoms. In the thirty-fifth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the thirty-seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the thirty-eighth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the thirty-ninth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the fortieth O2- site, O2- is bonded in a single-bond geometry to one Mo+5.78+ atom. In the forty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mo+5.78+ atoms. In the forty-second O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-third O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-fourth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.78+ atoms. In the forty-sixth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-seventh O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the forty-eighth O2- site, O2- is bonded in a distorted linear geometry to two Mo+5.78+ atoms. In the forty-ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo+5.78+ atoms. In the fiftieth O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the fifty-first O2- site, O2- is bonded in a linear geometry to two Mo+5.78+ atoms. In the fifty-second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Mo+5.78+ atoms.},
doi = {10.17188/1279976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: