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

Title: Materials Data on Bi14MoO24 by Materials Project

Abstract

Bi14MoO24 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo6+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.89 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.67 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.71 Å. In the third Bi3+ site, Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.71 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Bi3+ atom. In the fourth O2- site, O2- is bondedmore » in a 4-coordinate geometry to four Bi3+ atoms.« less

Publication Date:
Other Number(s):
mp-1227628
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; Bi14MoO24; Bi-Mo-O
OSTI Identifier:
1677396
DOI:
https://doi.org/10.17188/1677396

Citation Formats

The Materials Project. Materials Data on Bi14MoO24 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677396.
The Materials Project. Materials Data on Bi14MoO24 by Materials Project. United States. doi:https://doi.org/10.17188/1677396
The Materials Project. 2019. "Materials Data on Bi14MoO24 by Materials Project". United States. doi:https://doi.org/10.17188/1677396. https://www.osti.gov/servlets/purl/1677396. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1677396,
title = {Materials Data on Bi14MoO24 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi14MoO24 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo6+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.89 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.67 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.71 Å. In the third Bi3+ site, Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.71 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mo6+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms.},
doi = {10.17188/1677396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}