When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides
Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey; Journal of Applied Crystallography 56 (2023) 589–596; doi:10.1107/S1600576723002261

data_2300699
_publ_section_title
;
 When the difference between incommensurate and commensurate structures
 becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides
;
_journal_coeditor_code           TU5032SUP1
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_journal_name_full               'Journal of Applied Crystallography'
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_journal_paper_doi               10.1107/S1600576723002261
_journal_volume                  56
_journal_year                    2023
_chemical_formula_sum            'B Bi4 Br O7'
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_diffrn_ambient_temperature      297.7
_diffrn_detector                 'Hybrid Pixel Array Detector'
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'XtaLAB Synergy, Single source at home/near, HyPix'
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_diffrn_reflns_limit_l_min       -6
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.0449
_refine_ls_shift/su_mean         0.0092
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0634
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_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            tu5032sup1.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/IUCr/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 2300698--2300699.cif.
;
_cod_original_formula_sum        'Bi4 B O7 Br'
_cod_database_code               2300699
_cod_database_fobs_code          2300699