U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2Be2SiO7 by Materials Project
Abstract
Be2Y2SiO7 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 1.57–1.71 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.65 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 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Y3+, and one Si4+ atom. In the second O2- site, O2- is bonded to one Be2+ and three equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3Be tetrahedra. In the third O2- site, O2- is bonded to two equivalent Be2+ and two equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OY2Be2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-6655
- 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; Y2Be2SiO7; Be-O-Si-Y
- OSTI Identifier:
- 1281468
- DOI:
- https://doi.org/10.17188/1281468
Citation Formats
The Materials Project. Materials Data on Y2Be2SiO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281468.
The Materials Project. Materials Data on Y2Be2SiO7 by Materials Project. United States. doi:https://doi.org/10.17188/1281468
The Materials Project. 2020.
"Materials Data on Y2Be2SiO7 by Materials Project". United States. doi:https://doi.org/10.17188/1281468. https://www.osti.gov/servlets/purl/1281468. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1281468,
title = {Materials Data on Y2Be2SiO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Be2Y2SiO7 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 1.57–1.71 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.65 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 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Y3+, and one Si4+ atom. In the second O2- site, O2- is bonded to one Be2+ and three equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OY3Be tetrahedra. In the third O2- site, O2- is bonded to two equivalent Be2+ and two equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing OY2Be2 tetrahedra.},
doi = {10.17188/1281468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}