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Title: Materials Data on La2TiCo16 by Materials Project

Abstract

La2TiCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of La–Co bond distances ranging from 3.03–3.27 Å. In the second La site, La is bonded in a 9-coordinate geometry to one Ti and eighteen Co atoms. The La–Ti bond length is 3.18 Å. There are a spread of La–Co bond distances ranging from 3.02–3.36 Å. Ti is bonded in a 1-coordinate geometry to one La and thirteen Co atoms. There are a spread of Ti–Co bond distances ranging from 2.35–2.70 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to two La, one Ti, and nine Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.72 Å. In the second Co site, Co is bonded to two La, one Ti, and nine Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.56 Å. In themore » third Co site, Co is bonded to three La, one Ti, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa3TiCo8 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. In the fourth Co site, Co is bonded to three La and nine Co atoms to form a mixture of edge, corner, and face-sharing CoLa3Co9 cuboctahedra. The Co–Co bond length is 2.58 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one La, one Ti, and twelve Co atoms.« less

Publication Date:
Other Number(s):
mp-1223096
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; La2TiCo16; Co-La-Ti
OSTI Identifier:
1683256
DOI:
https://doi.org/10.17188/1683256

Citation Formats

The Materials Project. Materials Data on La2TiCo16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683256.
The Materials Project. Materials Data on La2TiCo16 by Materials Project. United States. doi:https://doi.org/10.17188/1683256
The Materials Project. 2020. "Materials Data on La2TiCo16 by Materials Project". United States. doi:https://doi.org/10.17188/1683256. https://www.osti.gov/servlets/purl/1683256. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1683256,
title = {Materials Data on La2TiCo16 by Materials Project},
author = {The Materials Project},
abstractNote = {La2TiCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of La–Co bond distances ranging from 3.03–3.27 Å. In the second La site, La is bonded in a 9-coordinate geometry to one Ti and eighteen Co atoms. The La–Ti bond length is 3.18 Å. There are a spread of La–Co bond distances ranging from 3.02–3.36 Å. Ti is bonded in a 1-coordinate geometry to one La and thirteen Co atoms. There are a spread of Ti–Co bond distances ranging from 2.35–2.70 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to two La, one Ti, and nine Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.72 Å. In the second Co site, Co is bonded to two La, one Ti, and nine Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.56 Å. In the third Co site, Co is bonded to three La, one Ti, and eight Co atoms to form a mixture of distorted edge, corner, and face-sharing CoLa3TiCo8 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. In the fourth Co site, Co is bonded to three La and nine Co atoms to form a mixture of edge, corner, and face-sharing CoLa3Co9 cuboctahedra. The Co–Co bond length is 2.58 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one La, one Ti, and twelve Co atoms.},
doi = {10.17188/1683256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}