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Title: Materials Data on Dy2Be2SiO7 by Materials Project

Abstract

Be2Dy2SiO7 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. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.65 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 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Be2+ and two equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy2Be2 tetrahedra. In the second O2- site, O2- is bonded to one Be2+ and three equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy3Be tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Dy3+, and one Si4+ atom.

Publication Date:
Other Number(s):
mp-1213057
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Dy2Be2SiO7; Be-Dy-O-Si
OSTI Identifier:
1749294
DOI:
https://doi.org/10.17188/1749294

Citation Formats

The Materials Project. Materials Data on Dy2Be2SiO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749294.
The Materials Project. Materials Data on Dy2Be2SiO7 by Materials Project. United States. doi:https://doi.org/10.17188/1749294
The Materials Project. 2020. "Materials Data on Dy2Be2SiO7 by Materials Project". United States. doi:https://doi.org/10.17188/1749294. https://www.osti.gov/servlets/purl/1749294. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749294,
title = {Materials Data on Dy2Be2SiO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Be2Dy2SiO7 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. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.65 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 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Be2+ and two equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy2Be2 tetrahedra. In the second O2- site, O2- is bonded to one Be2+ and three equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing ODy3Be tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Be2+, two equivalent Dy3+, and one Si4+ atom.},
doi = {10.17188/1749294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}