U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoH4O5 by Materials Project
Abstract
MoH4O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.40 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.46 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.45 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to twomore »
- Publication Date:
- Other Number(s):
- mp-1180493
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; H-Mo-O; MoH4O5; crystal structure
- OSTI Identifier:
- 1700344
- DOI:
- https://doi.org/10.17188/1700344
Citation Formats
Materials Data on MoH4O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700344.
Materials Data on MoH4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1700344
2020.
"Materials Data on MoH4O5 by Materials Project". United States. doi:https://doi.org/10.17188/1700344. https://www.osti.gov/servlets/purl/1700344. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1700344,
title = {Materials Data on MoH4O5 by Materials Project},
abstractNote = {MoH4O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.40 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.46 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.45 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted square co-planar geometry to four H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted square co-planar geometry to four H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two H1+ atoms.},
doi = {10.17188/1700344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}