U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2Be2SiO7 by Materials Project
Abstract
Be2Nd2SiO7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.74 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+ and three equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Be2+ and two equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+, two equivalent Nd3+, and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-9077
- 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; Be-Nd-O-Si; Nd2Be2SiO7; crystal structure
- OSTI Identifier:
- 1312971
- DOI:
- https://doi.org/10.17188/1312971
Citation Formats
Materials Data on Nd2Be2SiO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312971.
Materials Data on Nd2Be2SiO7 by Materials Project. United States. doi:https://doi.org/10.17188/1312971
2020.
"Materials Data on Nd2Be2SiO7 by Materials Project". United States. doi:https://doi.org/10.17188/1312971. https://www.osti.gov/servlets/purl/1312971. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1312971,
title = {Materials Data on Nd2Be2SiO7 by Materials Project},
abstractNote = {Be2Nd2SiO7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.74 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+ and three equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Be2+ and two equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+, two equivalent Nd3+, and one Si4+ atom.},
doi = {10.17188/1312971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}