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Title: Materials Data on La(Co2B)6 by Materials Project

Abstract

LaCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All La–B bond lengths are 3.09 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.11 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.04 Å) and two longer (2.05 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one La3+ and seven Co+1.25+ atoms.

Publication Date:
Other Number(s):
mp-1106274
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; La(Co2B)6; B-Co-La
OSTI Identifier:
1682660
DOI:
https://doi.org/10.17188/1682660

Citation Formats

The Materials Project. Materials Data on La(Co2B)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682660.
The Materials Project. Materials Data on La(Co2B)6 by Materials Project. United States. doi:https://doi.org/10.17188/1682660
The Materials Project. 2020. "Materials Data on La(Co2B)6 by Materials Project". United States. doi:https://doi.org/10.17188/1682660. https://www.osti.gov/servlets/purl/1682660. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682660,
title = {Materials Data on La(Co2B)6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All La–B bond lengths are 3.09 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.09 Å) and one longer (2.11 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 trigonal pyramids. There are two shorter (2.04 Å) and two longer (2.05 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one La3+ and seven Co+1.25+ atoms.},
doi = {10.17188/1682660},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}