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Title: Materials Data on Y3TlC by Materials Project

Abstract

Y3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Y–Tl bond lengths are 3.49 Å. Both Y–C bond lengths are 2.47 Å. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with twelve equivalent TlY12 cuboctahedra, faces with six equivalent TlY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent TlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-9960
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; Y3TlC; C-Tl-Y
OSTI Identifier:
1272946
DOI:
10.17188/1272946

Citation Formats

The Materials Project. Materials Data on Y3TlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272946.
The Materials Project. Materials Data on Y3TlC by Materials Project. United States. doi:10.17188/1272946.
The Materials Project. 2020. "Materials Data on Y3TlC by Materials Project". United States. doi:10.17188/1272946. https://www.osti.gov/servlets/purl/1272946. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272946,
title = {Materials Data on Y3TlC by Materials Project},
author = {The Materials Project},
abstractNote = {Y3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Y–Tl bond lengths are 3.49 Å. Both Y–C bond lengths are 2.47 Å. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with twelve equivalent TlY12 cuboctahedra, faces with six equivalent TlY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent TlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1272946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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