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Title: Materials Data on CaTi2O4 by Materials Project

Abstract

CaTi2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. All Ca–O bond lengths are 2.19 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.08 Å. O2- is bonded to one Ca2+ and three equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing OCaTi3 tetrahedra.

Publication Date:
Other Number(s):
mvc-13092
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; CaTi2O4; Ca-O-Ti
OSTI Identifier:
1318726
DOI:
https://doi.org/10.17188/1318726

Citation Formats

The Materials Project. Materials Data on CaTi2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318726.
The Materials Project. Materials Data on CaTi2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1318726
The Materials Project. 2020. "Materials Data on CaTi2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1318726. https://www.osti.gov/servlets/purl/1318726. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318726,
title = {Materials Data on CaTi2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaTi2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. All Ca–O bond lengths are 2.19 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.08 Å. O2- is bonded to one Ca2+ and three equivalent Ti3+ atoms to form a mixture of distorted corner and edge-sharing OCaTi3 tetrahedra.},
doi = {10.17188/1318726},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}