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Title: Materials Data on Y3BCl3 by Materials Project

Abstract

Y3BCl3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Y is bonded to two equivalent B and four equivalent Cl atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. Both Y–B bond lengths are 2.57 Å. There are two shorter (2.82 Å) and two longer (2.92 Å) Y–Cl bond lengths. B is bonded to six equivalent Y atoms to form edge-sharing BY6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Y atoms.

Publication Date:
Other Number(s):
mp-1207798
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; Y3BCl3; B-Cl-Y
OSTI Identifier:
1651519
DOI:
https://doi.org/10.17188/1651519

Citation Formats

The Materials Project. Materials Data on Y3BCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651519.
The Materials Project. Materials Data on Y3BCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1651519
The Materials Project. 2020. "Materials Data on Y3BCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1651519. https://www.osti.gov/servlets/purl/1651519. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1651519,
title = {Materials Data on Y3BCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3BCl3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Y is bonded to two equivalent B and four equivalent Cl atoms to form a mixture of edge and corner-sharing YB2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. Both Y–B bond lengths are 2.57 Å. There are two shorter (2.82 Å) and two longer (2.92 Å) Y–Cl bond lengths. B is bonded to six equivalent Y atoms to form edge-sharing BY6 octahedra. Cl is bonded in a rectangular see-saw-like geometry to four equivalent Y atoms.},
doi = {10.17188/1651519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}