Materials Data on Ag2Mo(I2O7)2 by Materials Project
Abstract
MoAg2(O7I2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.23 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–2.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+, one Ag1+, and one I5+ atom. The O–I bond length is 1.96 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two equivalent I5+ atoms. There are one shorter (1.86 Å) and one longer (2.37 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.47 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and one I5+ atom. The O–I bond length is 1.88 Å. In the fifth O2- site, O2- is bonded in a distorted bentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203404
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ag2Mo(I2O7)2; Ag-I-Mo-O
- OSTI Identifier:
- 1748774
- DOI:
- https://doi.org/10.17188/1748774
Citation Formats
The Materials Project. Materials Data on Ag2Mo(I2O7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748774.
The Materials Project. Materials Data on Ag2Mo(I2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1748774
The Materials Project. 2020.
"Materials Data on Ag2Mo(I2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1748774. https://www.osti.gov/servlets/purl/1748774. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748774,
title = {Materials Data on Ag2Mo(I2O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoAg2(O7I2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.23 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–2.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+, one Ag1+, and one I5+ atom. The O–I bond length is 1.96 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two equivalent I5+ atoms. There are one shorter (1.86 Å) and one longer (2.37 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+ and two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.47 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and one I5+ atom. The O–I bond length is 1.88 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one I5+ atom. The O–I bond length is 1.82 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.70 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to five O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to four O2- atoms.},
doi = {10.17188/1748774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}