U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3Ga5SiO14 by Materials Project
Abstract
Nd3Ga5SiO14 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.97 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.84–1.97 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.02 Å) and three longer (2.03 Å) Ga–O bond lengths. In the third Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.82 Å) and three longer (1.86 Å) Ga–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Nd3+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and onemore »
- Publication Date:
- Other Number(s):
- mp-1220307
- 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-Nd-O-Si; Nd3Ga5SiO14; crystal structure
- OSTI Identifier:
- 1711907
- DOI:
- https://doi.org/10.17188/1711907
Citation Formats
Materials Data on Nd3Ga5SiO14 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711907.
Materials Data on Nd3Ga5SiO14 by Materials Project. United States. doi:https://doi.org/10.17188/1711907
2019.
"Materials Data on Nd3Ga5SiO14 by Materials Project". United States. doi:https://doi.org/10.17188/1711907. https://www.osti.gov/servlets/purl/1711907. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1711907,
title = {Materials Data on Nd3Ga5SiO14 by Materials Project},
abstractNote = {Nd3Ga5SiO14 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.97 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.84–1.97 Å. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.02 Å) and three longer (2.03 Å) Ga–O bond lengths. In the third Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.82 Å) and three longer (1.86 Å) Ga–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Nd3+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+, one Ga3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and two Ga3+ atoms.},
doi = {10.17188/1711907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}