U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbGaO4 by Materials Project
Abstract
GaNbO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.82–2.36 Å. Ga3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ga–O bond distances ranging from 1.92–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Nb5+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Ga3+ atom. In the third O2- site, O2- is bonded to one Nb5+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing ONbGa3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nb5+ and one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-7601
- 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; Ga-Nb-O; NbGaO4; crystal structure
- OSTI Identifier:
- 1291574
- DOI:
- https://doi.org/10.17188/1291574
Citation Formats
Materials Data on NbGaO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291574.
Materials Data on NbGaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1291574
2020.
"Materials Data on NbGaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1291574. https://www.osti.gov/servlets/purl/1291574. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1291574,
title = {Materials Data on NbGaO4 by Materials Project},
abstractNote = {GaNbO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.82–2.36 Å. Ga3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ga–O bond distances ranging from 1.92–2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Nb5+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Ga3+ atom. In the third O2- site, O2- is bonded to one Nb5+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing ONbGa3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nb5+ and one Ga3+ atom.},
doi = {10.17188/1291574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}