A new rare-earth oxyborate Ba<sub>3</sub>BiPbEuO(BO<sub>3</sub>)<sub>4</sub> and the luminescence properties of the Ba<sub>3</sub>BiPbY<sub>1-<i>x</i></sub>Eu<sub><i>x</i></sub>O(BO<sub>3</sub>)<sub>4</sub> phosphors.
Chen, Xuean; Bian, Ruru; Xiao, Weiqiang; Song, Xiaoyan; Dalton transactions (Cambridge, England : 2003) 51 (2022) 9454–9466; doi:10.1039/d2dt01063a

data_7710460
_publ_section_title
;
 A new rare-earth oxyborate
 Ba<sub>3</sub>BiPbEuO(BO<sub>3</sub>)<sub>4</sub> and the luminescence
 properties of the
 Ba<sub>3</sub>BiPbY<sub>1-<i>x</i></sub>Eu<sub><i>x</i></sub>O(BO<sub>3</sub>)<sub>4</sub>
 phosphors.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9454
_journal_page_last               9466
_journal_paper_doi               10.1039/d2dt01063a
_journal_volume                  51
_journal_year                    2022
_chemical_formula_sum            'B4 Ba3 Bi Eu O13 Pb'
_chemical_formula_weight         1231.39
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-04-06 deposited with the CCDC.	2022-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.4305(1)
_cell_length_b                   5.4305(1)
_cell_length_c                   26.3501(3)
_cell_measurement_reflns_used    11896
_cell_measurement_temperature    289.9(8)
_cell_measurement_theta_max      36.3240
_cell_measurement_theta_min      4.3170
_cell_volume                     672.965(19)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      289.9(8)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3376
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0095
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            26123
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.949
_diffrn_reflns_theta_min         4.334
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    38.783
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    6.077
_exptl_crystal_description       plate
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.004
_refine_diff_density_min         -4.662
_refine_diff_density_rms         0.430
_refine_ls_extinction_coef       0.0027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     32
_refine_ls_number_reflns         471
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0254P)^2^+47.6921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1069
_reflns_Friedel_coverage         0.000
_reflns_number_gt                444
_reflns_number_total             471
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01063a2.cif
_cod_data_source_block           BaBiPbEuBO
_cod_depositor_comments          'Adding full bibliography for 7710460.cif.'
_cod_original_cell_volume        672.96(3)
_cod_database_code               7710460
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.613
_oxdiff_exptl_absorpt_empirical_full_max 2.082
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_shelx_res_checksum              27695