U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Mo2O5 by Materials Project
Abstract
Mg2Mo2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.98–2.13 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form corner-sharing MgO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.97–2.09 Å. There are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are three shorter (2.07 Å) and one longer (2.16 Å) Mo–O bond lengths. In the second Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.82–2.10 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Mo3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3989
- 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; Mg2Mo2O5; Mg-Mo-O
- OSTI Identifier:
- 1320813
- DOI:
- https://doi.org/10.17188/1320813
Citation Formats
The Materials Project. Materials Data on Mg2Mo2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320813.
The Materials Project. Materials Data on Mg2Mo2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1320813
The Materials Project. 2020.
"Materials Data on Mg2Mo2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1320813. https://www.osti.gov/servlets/purl/1320813. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320813,
title = {Materials Data on Mg2Mo2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Mo2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.98–2.13 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form corner-sharing MgO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.97–2.09 Å. There are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are three shorter (2.07 Å) and one longer (2.16 Å) Mo–O bond lengths. In the second Mo3+ site, Mo3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.82–2.10 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Mo3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mo3+ atoms to form corner-sharing OMg2Mo2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Mo3+ atoms to form corner-sharing OMg2Mo2 tetrahedra.},
doi = {10.17188/1320813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}