DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Y2Si2O7 by Materials Project

Abstract

Y2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-7999
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; Y2Si2O7; O-Si-Y
OSTI Identifier:
1307889
DOI:
https://doi.org/10.17188/1307889

Citation Formats

The Materials Project. Materials Data on Y2Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307889.
The Materials Project. Materials Data on Y2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1307889
The Materials Project. 2020. "Materials Data on Y2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1307889. https://www.osti.gov/servlets/purl/1307889. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307889,
title = {Materials Data on Y2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom.},
doi = {10.17188/1307889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}