U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La3Nd(GaO3)4 by Materials Project
Abstract
NdLa3(GaO3)4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Nd3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.78 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.80 Å. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There is one shorter (1.99 Å) and five longer (2.00 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–23°. All Ga–O bond lengths are 2.00 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent La3+, and twomore »
- Publication Date:
- Other Number(s):
- mp-1223159
- 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-La-Nd-O; La3Nd(GaO3)4; crystal structure
- OSTI Identifier:
- 1678156
- DOI:
- https://doi.org/10.17188/1678156
Citation Formats
Materials Data on La3Nd(GaO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1678156.
Materials Data on La3Nd(GaO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1678156
2020.
"Materials Data on La3Nd(GaO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1678156. https://www.osti.gov/servlets/purl/1678156. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1678156,
title = {Materials Data on La3Nd(GaO3)4 by Materials Project},
abstractNote = {NdLa3(GaO3)4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Nd3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.78 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.80 Å. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There is one shorter (1.99 Å) and five longer (2.00 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 22–23°. All Ga–O bond lengths are 2.00 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent La3+, and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent La3+, and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Nd3+, one La3+, and two equivalent Ga3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three La3+ and two equivalent Ga3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two La3+, and two Ga3+ atoms.},
doi = {10.17188/1678156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}