Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
Zhao, Jing; Li, R. K.; Inorganic chemistry 53 (2014) 2501–2505; doi:10.1021/ic4025525

data_4337790
_publ_section_title
;
 Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2501
_journal_page_last               2505
_journal_paper_doi               10.1021/ic4025525
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'B7 Ba12 F4 Na O21'
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_chemical_name_systematic
;
 ?
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;
Rigaku Mercury375R (2x2 bin mode)
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_source                   'Sealed Tube'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+77.4037P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0607
_reflns_Friedel_coverage         0.000
_reflns_number_gt                873
_reflns_number_total             884
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic4025525_si_003.cif
_cod_data_source_block           bbfi4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2796.5(5)
_cod_original_sg_symbol_H-M      I4/mcm
_cod_database_code               4337790
_shelxl_version_number           2013-2
_shelx_res_checksum              12980
_shelx_hkl_checksum              28447