Design, synthesis, crystal structure and luminescent properties introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub> (REE = Y, Gd).
Zhao, Dan; Xue, Yali; Zhang, Ruijuan; Fan, Yanping; Liu, Baozhong; Li, Yanan; Zhang, Shirui; Dalton transactions (Cambridge, England : 2003) 49 (2020) 10104–10113; doi:10.1039/d0dt00389a

data_7704852
_publ_section_title
;
 Design, synthesis, crystal structure and luminescent properties
 introduced by Eu<sup>3+</sup> of a new type of rare-earth borophosphate
 CsNa<sub>2</sub>REE<sub>2</sub>(BO<sub>3</sub>)(PO<sub>4</sub>)<sub>2</sub>
 (REE = Y, Gd).
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10104
_journal_page_last               10113
_journal_paper_doi               10.1039/d0dt00389a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'B Cs Gd2 Na2 O11 P2'
_chemical_formula_weight         742.14
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-09-01 deposited with the CCDC.	2020-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0291(6)
_cell_length_b                   15.1435(13)
_cell_length_c                   10.6895(9)
_cell_measurement_reflns_used    1329
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.15
_cell_measurement_theta_min      3.48
_cell_volume                     1137.85(17)
_computing_cell_refinement       'Bruker Apex2'
_computing_data_collection       'Bruker Apex2'
_computing_data_reduction        'Bruker Apex2'
_computing_molecular_graphics    'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Apex 2 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3759
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         2.690
_exptl_absorpt_coefficient_mu    15.115
_exptl_absorpt_correction_T_max  0.358
_exptl_absorpt_correction_T_min  0.113
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.332
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.222
_refine_diff_density_min         -1.002
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       0.00563(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0194
_refine_ls_R_factor_gt           0.0180
_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^)+(0.0182P)^2^+1.3990P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0399
_refine_ls_wR_factor_ref         0.0403
_reflns_Friedel_coverage         0.000
_reflns_number_gt                758
_reflns_number_total             799
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00389a2.cif
_cod_data_source_block           Gd
_cod_depositor_comments
'Adding full bibliography for 7704850--7704852.cif.'
_cod_database_code               7704852
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.161
_shelx_estimated_absorpt_t_max   0.210
_shelx_res_checksum              89840
_publcif_funding_html
;
;