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Title: Materials Data on Sc2Si2O7 by Materials Project

Abstract

Sc2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent ScO6 pentagonal pyramids. There are a spread of Sc–O bond distances ranging from 2.10–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent ScO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.62 Å) and three 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 Sc3+ 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 Sc3+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-5594
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; Sc2Si2O7; O-Sc-Si
OSTI Identifier:
1270844
DOI:
https://doi.org/10.17188/1270844

Citation Formats

The Materials Project. Materials Data on Sc2Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270844.
The Materials Project. Materials Data on Sc2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1270844
The Materials Project. 2020. "Materials Data on Sc2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1270844. https://www.osti.gov/servlets/purl/1270844. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1270844,
title = {Materials Data on Sc2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent ScO6 pentagonal pyramids. There are a spread of Sc–O bond distances ranging from 2.10–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent ScO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.62 Å) and three 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 Sc3+ 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 Sc3+ and one Si4+ atom.},
doi = {10.17188/1270844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}