U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3NbGa3(SiO7)2 by Materials Project
Abstract
Sr3NbGa3Si2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.72 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six GaO4 tetrahedra. All Nb–O bond lengths are 2.03 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ga–O bond lengths are 1.86 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ga–O bond lengths are 1.86 Å. Si4+ is bonded to fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192427
- 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; Sr3NbGa3(SiO7)2; Ga-Nb-O-Si-Sr
- OSTI Identifier:
- 1712210
- DOI:
- https://doi.org/10.17188/1712210
Citation Formats
The Materials Project. Materials Data on Sr3NbGa3(SiO7)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1712210.
The Materials Project. Materials Data on Sr3NbGa3(SiO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1712210
The Materials Project. 2019.
"Materials Data on Sr3NbGa3(SiO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1712210. https://www.osti.gov/servlets/purl/1712210. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1712210,
title = {Materials Data on Sr3NbGa3(SiO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3NbGa3Si2O14 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.72 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six GaO4 tetrahedra. All Nb–O bond lengths are 2.03 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ga–O bond lengths are 1.86 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent NbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ga–O bond lengths are 1.86 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Nb5+, and one Ga3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Nb5+, and one Ga3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Nb5+, and one Ga3+ atom.},
doi = {10.17188/1712210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}