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Title: Materials Data on Lu2Si2O7 by Materials Project

Abstract

Lu2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form distorted LuO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent LuO6 pentagonal pyramids. There are four shorter (2.20 Å) and two longer (2.28 Å) Lu–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent LuO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-7193
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; Lu2Si2O7; Lu-O-Si
OSTI Identifier:
1287104
DOI:
https://doi.org/10.17188/1287104

Citation Formats

The Materials Project. Materials Data on Lu2Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287104.
The Materials Project. Materials Data on Lu2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1287104
The Materials Project. 2020. "Materials Data on Lu2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1287104. https://www.osti.gov/servlets/purl/1287104. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287104,
title = {Materials Data on Lu2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form distorted LuO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent LuO6 pentagonal pyramids. There are four shorter (2.20 Å) and two longer (2.28 Å) Lu–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent LuO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Si4+ atom.},
doi = {10.17188/1287104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}