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Title: Materials Data on Y6CoBr10 by Materials Project

Abstract

Y6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Co bond length is 2.56 Å. There are a spread of Y–Br bond distances ranging from 2.85–3.10 Å. In the second Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Co bond length is 2.65 Å. There are a spread of Y–Br bond distances ranging from 2.91–3.09 Å. In the third Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Y–Co bond length is 2.68 Å. There are a spread of Y–Br bond distances ranging from 2.80–3.08 Å. Co is bonded in an octahedral geometry to six Y atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded inmore » a T-shaped geometry to three Y atoms. In the second Br site, Br is bonded in a see-saw-like geometry to four Y atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Y atoms. In the fourth Br site, Br is bonded in a T-shaped geometry to three Y atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Y atoms.« less

Publication Date:
Other Number(s):
mp-1205373
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; Y6CoBr10; Br-Co-Y
OSTI Identifier:
1759211
DOI:
https://doi.org/10.17188/1759211

Citation Formats

The Materials Project. Materials Data on Y6CoBr10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759211.
The Materials Project. Materials Data on Y6CoBr10 by Materials Project. United States. doi:https://doi.org/10.17188/1759211
The Materials Project. 2020. "Materials Data on Y6CoBr10 by Materials Project". United States. doi:https://doi.org/10.17188/1759211. https://www.osti.gov/servlets/purl/1759211. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759211,
title = {Materials Data on Y6CoBr10 by Materials Project},
author = {The Materials Project},
abstractNote = {Y6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Co bond length is 2.56 Å. There are a spread of Y–Br bond distances ranging from 2.85–3.10 Å. In the second Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Y–Co bond length is 2.65 Å. There are a spread of Y–Br bond distances ranging from 2.91–3.09 Å. In the third Y site, Y is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing YCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Y–Co bond length is 2.68 Å. There are a spread of Y–Br bond distances ranging from 2.80–3.08 Å. Co is bonded in an octahedral geometry to six Y atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a T-shaped geometry to three Y atoms. In the second Br site, Br is bonded in a see-saw-like geometry to four Y atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Y atoms. In the fourth Br site, Br is bonded in a T-shaped geometry to three Y atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Y atoms.},
doi = {10.17188/1759211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}