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Title: Materials Data on CaTb2O4 by Materials Project

Abstract

CaTb2O4 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 TbO6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Ca–O bond lengths are 2.32 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent TbO6 octahedra. There are two shorter (2.31 Å) and four longer (2.32 Å) Tb–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing OCaTb3 trigonal pyramids.

Publication Date:
Other Number(s):
mp-755044
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; CaTb2O4; Ca-O-Tb
OSTI Identifier:
1289743
DOI:
10.17188/1289743

Citation Formats

The Materials Project. Materials Data on CaTb2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289743.
The Materials Project. Materials Data on CaTb2O4 by Materials Project. United States. doi:10.17188/1289743.
The Materials Project. 2020. "Materials Data on CaTb2O4 by Materials Project". United States. doi:10.17188/1289743. https://www.osti.gov/servlets/purl/1289743. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289743,
title = {Materials Data on CaTb2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaTb2O4 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 TbO6 octahedra. The corner-sharing octahedra tilt angles range from 58–60°. All Ca–O bond lengths are 2.32 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent TbO6 octahedra. There are two shorter (2.31 Å) and four longer (2.32 Å) Tb–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing OCaTb3 trigonal pyramids.},
doi = {10.17188/1289743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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