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Materials Data on Sc(ClO4)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1298655· OSTI ID:1298655
Sc(O4Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sc is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.24 Å) and three longer (2.48 Å) Sc–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Sc and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O 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:
1298655
Report Number(s):
mp-769148
Country of Publication:
United States
Language:
English

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