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Title: Materials Data on Ca3Tb by Materials Project

Abstract

Ca3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Tb atoms to form CaCa8Tb4 cuboctahedra that share corners with four equivalent TbCa12 cuboctahedra, corners with fourteen equivalent CaCa8Tb4 cuboctahedra, edges with six equivalent TbCa12 cuboctahedra, edges with twelve equivalent CaCa8Tb4 cuboctahedra, faces with four equivalent TbCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Tb4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.71–3.87 Å. All Ca–Tb bond lengths are 3.79 Å. Tb is bonded to twelve equivalent Ca atoms to form TbCa12 cuboctahedra that share corners with six equivalent TbCa12 cuboctahedra, corners with twelve equivalent CaCa8Tb4 cuboctahedra, edges with eighteen equivalent CaCa8Tb4 cuboctahedra, faces with eight equivalent TbCa12 cuboctahedra, and faces with twelve equivalent CaCa8Tb4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1183522
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; Ca3Tb; Ca-Tb
OSTI Identifier:
1687849
DOI:
https://doi.org/10.17188/1687849

Citation Formats

The Materials Project. Materials Data on Ca3Tb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687849.
The Materials Project. Materials Data on Ca3Tb by Materials Project. United States. doi:https://doi.org/10.17188/1687849
The Materials Project. 2020. "Materials Data on Ca3Tb by Materials Project". United States. doi:https://doi.org/10.17188/1687849. https://www.osti.gov/servlets/purl/1687849. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687849,
title = {Materials Data on Ca3Tb by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Tb atoms to form CaCa8Tb4 cuboctahedra that share corners with four equivalent TbCa12 cuboctahedra, corners with fourteen equivalent CaCa8Tb4 cuboctahedra, edges with six equivalent TbCa12 cuboctahedra, edges with twelve equivalent CaCa8Tb4 cuboctahedra, faces with four equivalent TbCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Tb4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.71–3.87 Å. All Ca–Tb bond lengths are 3.79 Å. Tb is bonded to twelve equivalent Ca atoms to form TbCa12 cuboctahedra that share corners with six equivalent TbCa12 cuboctahedra, corners with twelve equivalent CaCa8Tb4 cuboctahedra, edges with eighteen equivalent CaCa8Tb4 cuboctahedra, faces with eight equivalent TbCa12 cuboctahedra, and faces with twelve equivalent CaCa8Tb4 cuboctahedra.},
doi = {10.17188/1687849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}