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Materials Data on YClO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1267557· OSTI ID:1267557
YOCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YOCl sheets oriented in the (0, 0, 1) direction. Y3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Cl1- atoms. There are three shorter (2.29 Å) and one longer (2.30 Å) Y–O bond lengths. All Y–Cl bond lengths are 2.81 Å. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1267557
Report Number(s):
mp-552120
Country of Publication:
United States
Language:
English

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