U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2MgMo2(H2O5)2 by Materials Project
Abstract
K2MgMo2(H2O5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.66 Å) and one longer (2.78 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.69–3.16 Å. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.08 Å) Mg–O bond lengths. Mo6+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.95 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-644594
- 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; K2MgMo2(H2O5)2; H-K-Mg-Mo-O
- OSTI Identifier:
- 1280465
- DOI:
- https://doi.org/10.17188/1280465
Citation Formats
The Materials Project. Materials Data on K2MgMo2(H2O5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280465.
The Materials Project. Materials Data on K2MgMo2(H2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280465
The Materials Project. 2020.
"Materials Data on K2MgMo2(H2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280465. https://www.osti.gov/servlets/purl/1280465. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280465,
title = {Materials Data on K2MgMo2(H2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2MgMo2(H2O5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (2.66 Å) and one longer (2.78 Å) K–H bond lengths. There are a spread of K–O bond distances ranging from 2.69–3.16 Å. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.08 Å) Mg–O bond lengths. Mo6+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.95 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Mo6+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Mg2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Mg2+, and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mo6+ atom.},
doi = {10.17188/1280465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}