pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination
Paul, Sayantani; Sen, Bibaswan; Chakraborty, Nirman; Das, Sangita; Mondal, Swastik; Chattopadhyay, Asoke P.; Ali, Sk Imran; RSC Advances 12 (2022) 8374–8384; doi:10.1039/D2RA01215D

data_7244610
_publ_section_title
;
 pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X =
 Br/Cl) and its use for the dye degradation of methyl orange both with and
 without light illumination
;
_journal_issue                   14
_journal_name_full               'RSC Advances'
_journal_page_first              8374
_journal_page_last               8384
_journal_paper_doi               10.1039/D2RA01215D
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'Br2 O5 Sb4'
_chemical_formula_weight         726.8
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2021-10-30 deposited with the CCDC.	2022-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.9328(11)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   5.14280(10)
_cell_length_c                   13.4696(2)
_cell_measurement_reflns_used    12981
_cell_measurement_temperature    293
_cell_measurement_theta_max      49.09
_cell_measurement_theta_min      3.03
_cell_volume                     453.317(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
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_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
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'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_source         'X-ray tube'
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_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            35836
_diffrn_reflns_theta_full        49.59
_diffrn_reflns_theta_max         49.59
_diffrn_reflns_theta_min         3.05
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    20.578
_exptl_absorpt_correction_T_max  0.024
_exptl_absorpt_correction_T_min  0.002
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs-2014
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    5.3247
_exptl_crystal_description       Transparent
_exptl_crystal_F_000             628
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_exptl_crystal_size_mid          0.05
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_refine_diff_density_min         -0.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.84
_refine_ls_goodness_of_fit_ref   1.80
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_reflns         1951
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0219
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0277
_refine_ls_wR_factor_ref         0.0280
_reflns_number_gt                1831
_reflns_number_total             1951
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d2ra01215d2.cif
_cod_data_source_block           I
_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/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7244610