The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals
Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.; CrystEngComm 23 (2021) 6599–6609; doi:10.1039/D1CE00556A

data_7243488
_publ_section_title
;
 The influence of co-doping on the luminescence and thermoluminescence
 properties of Cu-containing fluoride borate crystals
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              6599
_journal_page_last               6609
_journal_paper_doi               10.1039/D1CE00556A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'B7 Ba12 F4 Li O21'
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_space_group_IT_number           135
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_space_group_name_H-M_alt        'P 42/m b c'
_symmetry_cell_setting           tetragonal
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_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_audit_update_record
;
2021-07-13 deposited with the CCDC.	2021-09-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   14.9399(3)
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_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
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_diffrn_measurement_device       'four-circle diffractometer'
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'esperanto-CrysAlisPro-abstract goniometer imported esperanto images'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.13
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    17.105
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    5.2135
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.100
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_refine_diff_density_max         1.58
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_refine_ls_extinction_coef       1730(60)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.7897
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_refine_ls_number_constraints    0
_refine_ls_number_parameters     121
_refine_ls_number_reflns         1645
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_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                1367
_reflns_number_total             1645
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d1ce00556a1.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.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7243488.cif.
;
_cod_original_sg_symbol_Hall     '-P 4c;-2ab'
_cod_original_formula_sum        'B7 Ba12 F4 Li1 O21'
_cod_database_code               7243488