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Title: Materials Data on Ca3Si3(SbO6)2 by Materials Project

Abstract

Ca3Si3(SbO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.47 Å) and four longer (2.59 Å) Ca–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Si–O bond lengths are 1.67 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sb–O bond lengths are 2.29 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Si4+, and one Sb3+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-3679
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; Ca3Si3(SbO6)2; Ca-O-Sb-Si
OSTI Identifier:
1320661
DOI:
https://doi.org/10.17188/1320661

Citation Formats

The Materials Project. Materials Data on Ca3Si3(SbO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320661.
The Materials Project. Materials Data on Ca3Si3(SbO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1320661
The Materials Project. 2020. "Materials Data on Ca3Si3(SbO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1320661. https://www.osti.gov/servlets/purl/1320661. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1320661,
title = {Materials Data on Ca3Si3(SbO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Si3(SbO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.47 Å) and four longer (2.59 Å) Ca–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Si–O bond lengths are 1.67 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sb–O bond lengths are 2.29 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Si4+, and one Sb3+ atom.},
doi = {10.17188/1320661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}