U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mo4H8N2O13 by Materials Project
Abstract
Mo4O13(NH4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four ammonium molecules and one Mo4O13 ribbon oriented in the (0, 1, 0) direction. In the Mo4O13 ribbon, there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.50 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.38 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a 4-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-744579
- 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; Mo4H8N2O13; H-Mo-N-O
- OSTI Identifier:
- 1288281
- DOI:
- https://doi.org/10.17188/1288281
Citation Formats
The Materials Project. Materials Data on Mo4H8N2O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288281.
The Materials Project. Materials Data on Mo4H8N2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1288281
The Materials Project. 2020.
"Materials Data on Mo4H8N2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1288281. https://www.osti.gov/servlets/purl/1288281. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1288281,
title = {Materials Data on Mo4H8N2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo4O13(NH4)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four ammonium molecules and one Mo4O13 ribbon oriented in the (0, 1, 0) direction. In the Mo4O13 ribbon, there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.50 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.38 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.37 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. 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 bent 120 degrees geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms.},
doi = {10.17188/1288281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}