Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence
Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.; Symmetry 15 (2023) 918–; doi:10.3390/sym15040918

data_1569089
_publ_section_title
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 Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal
 Structure and Luminescence
;
_journal_issue                   4
_journal_name_full               Symmetry
_journal_page_first              918
_journal_paper_doi               10.3390/sym15040918
_journal_volume                  15
_journal_year                    2023
_chemical_formula_sum            'B4 Ba Bi1.574 Eu0.426 O10'
_chemical_formula_weight         734.2
_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'
_cell_angle_alpha                90
_cell_angle_beta                 102.424(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2360(16)
_cell_length_b                   6.3962(9)
_cell_length_c                   12.3912(18)
_cell_measurement_reflns_used    5194
_cell_measurement_temperature    293
_cell_measurement_theta_max      33.86
_cell_measurement_theta_min      3.54
_cell_volume                     792.3(2)
_computing_cell_refinement       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.86
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8343
_diffrn_reflns_theta_full        31.09
_diffrn_reflns_theta_max         33.51
_diffrn_reflns_theta_min         3.37
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    43.169
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.38
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.1556
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1254
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.32
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_number_constraints    18
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2681
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.0321
_refine_ls_shift/su_mean         0.0025
_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          0.0281
_refine_ls_wR_factor_ref         0.0299
_reflns_number_gt                2083
_reflns_number_total             2681
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            BaBi16Eu04B4O10.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/current/MDPI/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 
;
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_formula_sum        'B4 Ba1 Bi1.574 Eu0.426 O10'
_cod_database_code               1569089