U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2(MoO4)3 by Materials Project
Abstract
Ga2Mo3O12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–36°. There is three shorter (1.79 Å) and one longer (1.80 Å) Mo–O bond length. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–37°. There is three shorter (1.79 Å) and one longer (1.80 Å) Mo–O bond length. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–39°. There are a spread of Mo–O bond distances ranging from 1.78–1.80 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 3–39°. There is one shorter (1.78 Å) and three longer (1.80 Å) Mo–O bond length. In the fifth Mo6+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213624
- 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; Ga2(MoO4)3; Ga-Mo-O
- OSTI Identifier:
- 1744060
- DOI:
- https://doi.org/10.17188/1744060
Citation Formats
The Materials Project. Materials Data on Ga2(MoO4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1744060.
The Materials Project. Materials Data on Ga2(MoO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1744060
The Materials Project. 2019.
"Materials Data on Ga2(MoO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1744060. https://www.osti.gov/servlets/purl/1744060. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1744060,
title = {Materials Data on Ga2(MoO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga2Mo3O12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–36°. There is three shorter (1.79 Å) and one longer (1.80 Å) Mo–O bond length. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–37°. There is three shorter (1.79 Å) and one longer (1.80 Å) Mo–O bond length. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 17–39°. There are a spread of Mo–O bond distances ranging from 1.78–1.80 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 3–39°. There is one shorter (1.78 Å) and three longer (1.80 Å) Mo–O bond length. In the fifth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–38°. There are a spread of Mo–O bond distances ranging from 1.78–1.80 Å. In the sixth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–38°. There is two shorter (1.79 Å) and two longer (1.80 Å) Mo–O bond length. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.03 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.03 Å. In the third Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.02 Å. In the fourth Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six MoO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.95–2.03 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the ninth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the seventeenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the eighteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the nineteenth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the twentieth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the twenty-first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the twenty-second O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Ga3+ atom. In the twenty-third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom. In the twenty-fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ga3+ atom.},
doi = {10.17188/1744060},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}
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