Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.
Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.; Inorganic chemistry 56 (2017) 1574–1580; doi:10.1021/acs.inorgchem.6b02666

data_4345018
_publ_section_title
;
 Computationally-Guided Assignment of Unexpected Signals in the Raman
 Spectra of Uranyl Triperoxide Complexes.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1574
_journal_page_last               1580
_journal_paper_doi               10.1021/acs.inorgchem.6b02666
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'Na4 O17 U'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+2.9946P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           Na4[UO2(O2)3]9H2O
_cod_depositor_comments
'Adding full bibliography for 4345018--4345021.cif.'
_cod_database_code               4345018
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