BaWO<sub>2</sub>F<sub>4</sub>: a mixed anion X-ray scintillator with excellent photoluminescence quantum efficiency.
Ayer, Gyanendra B.; Klepov, Vladislav V.; Smith, Mark D.; Hu, Ming; Yang, Zhonghua; Martin, Corey R.; Morrison, Gregory; Zur Loye, Hans-Conrad; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10734–10739; doi:10.1039/d0dt02184a

data_7704934
_publ_section_title
;
 BaWO<sub>2</sub>F<sub>4</sub>: a mixed anion X-ray scintillator with
 excellent photoluminescence quantum efficiency.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10734
_journal_page_last               10739
_journal_paper_doi               10.1039/d0dt02184a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'Ba F4 O2 W'
_chemical_formula_sum            'Ba F4 O2 W'
_chemical_formula_weight         429.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-03 deposited with the CCDC.	2020-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.811(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.0464(8)
_cell_length_b                   5.0318(3)
_cell_length_c                   14.1297(8)
_cell_measurement_reflns_used    9875
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      33.680
_cell_measurement_theta_min      2.886
_cell_volume                     997.47(10)
_computing_cell_refinement       'SAINT Version 8.38a (Bruker, 2016)'
_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_data_reduction        'SAINT Version 8.38a (Bruker, 2016)'
_computing_molecular_graphics    various
_computing_publication_material  various
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 10.4
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32174
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.762
_diffrn_reflns_theta_min         1.443
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    30.895
_exptl_absorpt_correction_T_max  0.2065
_exptl_absorpt_correction_T_min  0.1104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2016/2 (Bruker, 2016)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.716
_exptl_crystal_description       plate
_exptl_crystal_F_000             1456
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         6.649
_refine_diff_density_min         -2.914
_refine_diff_density_rms         0.389
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3974
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0304P)^2^+9.1255P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0694
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3429
_reflns_number_total             3974
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02184a2.cif
_cod_data_source_block           ga1133e
_cod_depositor_comments          'Adding full bibliography for 7704934.cif.'
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               7704934
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.371
_shelx_estimated_absorpt_t_max   0.748
_shelx_res_checksum              34240