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Title: Materials Data on Yb15C19 by Materials Project

Abstract

Yb15C19 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are five inequivalent Yb+2.93+ sites. In the first Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.53 Å) and four longer (2.58 Å) Yb–C bond lengths. In the second Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Yb–C bond distances ranging from 2.57–2.73 Å. In the third Yb+2.93+ site, Yb+2.93+ is bonded in a 7-coordinate geometry to seven C+2.32- atoms. There are a spread of Yb–C bond distances ranging from 2.48–2.79 Å. In the fourth Yb+2.93+ site, Yb+2.93+ is bonded in a 7-coordinate geometry to seven C+2.32- atoms. There are a spread of Yb–C bond distances ranging from 2.48–2.77 Å. In the fifth Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Yb–C bond distances ranging from 2.57–2.80more » Å. There are six inequivalent C+2.32- sites. In the first C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to five Yb+2.93+ and one C+2.32- atom. The C–C bond length is 1.33 Å. In the third C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to four Yb+2.93+ and two C+2.32- atoms. The C–C bond length is 1.33 Å. In the fourth C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fifth C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to five Yb+2.93+ and one C+2.32- atom. In the sixth C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-15371
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; Yb15C19; C-Yb
OSTI Identifier:
1191145
DOI:
10.17188/1191145

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb15C19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191145.
Persson, Kristin, & Project, Materials. Materials Data on Yb15C19 by Materials Project. United States. doi:10.17188/1191145.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb15C19 by Materials Project". United States. doi:10.17188/1191145. https://www.osti.gov/servlets/purl/1191145. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1191145,
title = {Materials Data on Yb15C19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb15C19 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are five inequivalent Yb+2.93+ sites. In the first Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.53 Å) and four longer (2.58 Å) Yb–C bond lengths. In the second Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Yb–C bond distances ranging from 2.57–2.73 Å. In the third Yb+2.93+ site, Yb+2.93+ is bonded in a 7-coordinate geometry to seven C+2.32- atoms. There are a spread of Yb–C bond distances ranging from 2.48–2.79 Å. In the fourth Yb+2.93+ site, Yb+2.93+ is bonded in a 7-coordinate geometry to seven C+2.32- atoms. There are a spread of Yb–C bond distances ranging from 2.48–2.77 Å. In the fifth Yb+2.93+ site, Yb+2.93+ is bonded to six C+2.32- atoms to form a mixture of edge and corner-sharing YbC6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Yb–C bond distances ranging from 2.57–2.80 Å. There are six inequivalent C+2.32- sites. In the first C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to five Yb+2.93+ and one C+2.32- atom. The C–C bond length is 1.33 Å. In the third C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to four Yb+2.93+ and two C+2.32- atoms. The C–C bond length is 1.33 Å. In the fourth C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fifth C+2.32- site, C+2.32- is bonded in a 6-coordinate geometry to five Yb+2.93+ and one C+2.32- atom. In the sixth C+2.32- site, C+2.32- is bonded to six Yb+2.93+ atoms to form a mixture of edge and corner-sharing CYb6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1191145},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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