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Materials Data on PrClO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741495· OSTI ID:1741495
PrO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.70 Å. There are two shorter (2.90 Å) and one longer (3.03 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Pr and two equivalent O atoms. Both O–O bond lengths are 1.95 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Pr atoms. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr 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:
1741495
Report Number(s):
mp-1179810
Country of Publication:
United States
Language:
English

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