Cation vacancy-boosted BaZnB<sub>4</sub>O<sub>8</sub>:<i>x</i>Eu<sup>3+</sup> phosphors with high quantum yield and thermal stability for pc-WLEDs.
Liu, Naijia; Chen, Nianmin; Wang, Yunjian; Kong, Juanjuan; Wang, Zhe; Dalton transactions (Cambridge, England : 2003) 53 (2024) 1966–1976; doi:10.1039/d3dt04090a

data_7714961
_publ_section_title
;
 Cation vacancy-boosted
 BaZnB<sub>4</sub>O<sub>8</sub>:<i>x</i>Eu<sup>3+</sup> phosphors with
 high quantum yield and thermal stability for pc-WLEDs.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1966
_journal_page_last               1976
_journal_paper_doi               10.1039/d3dt04090a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'B12 Ba3 O24 Zn3'
_chemical_formula_weight         1121.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_block_doi                 10.5517/ccdc.csd.cc2d227t
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-09-11 deposited with the CCDC.	2023-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                71.165(2)
_cell_angle_beta                 77.178(2)
_cell_angle_gamma                60.214(2)
_cell_formula_units_Z            4
_cell_length_a                   12.0790(8)
_cell_length_b                   12.1128(8)
_cell_length_c                   17.1247(10)
_cell_measurement_reflns_used    9145
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.62
_cell_volume                     2052.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.122
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.122
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            74903
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.122
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.561
_diffrn_reflns_theta_min         1.260
_exptl_absorpt_coefficient_mu    9.236
_exptl_absorpt_correction_T_max  0.7345
_exptl_absorpt_correction_T_min  0.2021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   face-index
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.491
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.355
_refine_ls_extinction_coef       0.00149(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         9471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0227P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0524
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8538
_reflns_number_total             9471
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt04090a1.cif
_cod_data_source_block           123
_cod_depositor_comments          'Adding full bibliography for 7714961.cif.'
_cod_database_code               7714961
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              42311