U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdGeBO5 by Materials Project
Abstract
NdBGeO5 crystallizes in the monoclinic P2_1/c 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 2.36–2.61 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with three equivalent GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.41–1.60 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent BO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+, one B3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, one B3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-540996
- 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; B-Ge-Nd-O; NdGeBO5; crystal structure
- OSTI Identifier:
- 1264900
- DOI:
- https://doi.org/10.17188/1264900
Citation Formats
Materials Data on NdGeBO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264900.
Materials Data on NdGeBO5 by Materials Project. United States. doi:https://doi.org/10.17188/1264900
2020.
"Materials Data on NdGeBO5 by Materials Project". United States. doi:https://doi.org/10.17188/1264900. https://www.osti.gov/servlets/purl/1264900. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1264900,
title = {Materials Data on NdGeBO5 by Materials Project},
abstractNote = {NdBGeO5 crystallizes in the monoclinic P2_1/c 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 2.36–2.61 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with three equivalent GeO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.41–1.60 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent BO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+, one B3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, one B3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one B3+, and one Ge4+ atom.},
doi = {10.17188/1264900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}