Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K
Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud; Acta Crystallographica Section E 77 (2021) 634–637; doi:10.1107/S2056989021004990

data_2243829
_publ_section_title
;
 Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              634
_journal_page_last               637
_journal_paper_doi               10.1107/S2056989021004990
_journal_volume                  77
_journal_year                    2021
_chemical_formula_moiety         'Ba5 I2 O12'
_chemical_formula_sum            'Ba5 I2 O12'
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_space_group_name_H-M_alt        'P n m a'
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Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
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CrysAlisPro (Rigaku OD, 2020)
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CrysAlisPro (Rigaku OD, 2020)
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CrysAlisPro (Rigaku OD, 2020)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>SHELXL2018/3</i> (Sheldrick, 2015b)
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<i>SHELXT2018/3</i> (Sheldrick, 2015a)
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_diffrn_reflns_theta_min         2.064
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(CrysAlisPro; Rigaku OD, 2020)
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_exptl_crystal_colour            brown
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SHELXL2018/3 (Sheldrick 2015b)
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_refine_ls_shift/su_mean         0.000
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'w=1/[\s^2^(Fo^2^)+(0.0092P)^2^+7.6239P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ru2075sup1.cif
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_shelx_estimated_absorpt_t_min   0.091
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