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Title: Materials Data on La3DyC8 by Materials Project

Abstract

DyLa3C8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are two shorter (2.51 Å) and eight longer (2.83 Å) Dy–C bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.59–2.85 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.66 Å) and eight longer (2.83 Å) La–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to one Dy3+, four equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded to five La3+ and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In themore » fourth C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to four equivalent Dy3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1223073
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; La3DyC8; C-Dy-La
OSTI Identifier:
1679383
DOI:
https://doi.org/10.17188/1679383

Citation Formats

The Materials Project. Materials Data on La3DyC8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679383.
The Materials Project. Materials Data on La3DyC8 by Materials Project. United States. doi:https://doi.org/10.17188/1679383
The Materials Project. 2020. "Materials Data on La3DyC8 by Materials Project". United States. doi:https://doi.org/10.17188/1679383. https://www.osti.gov/servlets/purl/1679383. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679383,
title = {Materials Data on La3DyC8 by Materials Project},
author = {The Materials Project},
abstractNote = {DyLa3C8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 10-coordinate geometry to ten C+1.50- atoms. There are two shorter (2.51 Å) and eight longer (2.83 Å) Dy–C bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.59–2.85 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.66 Å) and eight longer (2.83 Å) La–C bond lengths. There are four inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to one Dy3+, four equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded to five La3+ and one C+1.50- atom to form a mixture of distorted corner and edge-sharing CLa5C octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In the fourth C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to four equivalent Dy3+, one La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.},
doi = {10.17188/1679383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}