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_7704850
_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 Na2 O11 P2 Y2'
_chemical_formula_weight         605.46
_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                   6.9491(6)
_cell_length_b                   14.9073(12)
_cell_length_c                   10.6201(9)
_cell_measurement_reflns_used    938
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.27
_cell_measurement_theta_min      3.60
_cell_volume                     1100.16(16)
_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 0.992
_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  0.0240
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3636
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.283
_diffrn_reflns_theta_min         3.234
_exptl_absorpt_coefficient_mu    14.178
_exptl_absorpt_correction_T_max  0.406
_exptl_absorpt_correction_T_min  0.134
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.655
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.697
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       0.0037(2)
_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   1.163
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         766
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0197
_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^)+(0.0223P)^2^+3.7746P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0478
_refine_ls_wR_factor_ref         0.0481
_reflns_Friedel_coverage         0.000
_reflns_number_gt                735
_reflns_number_total             766
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00389a2.cif
_cod_data_source_block           Y
_cod_depositor_comments
'Adding full bibliography for 7704850--7704852.cif.'
_cod_database_code               7704850
_publcif_datablock.id            {778ee695-36f8-4928-8164-edf2a2b734ac}
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.185
_shelx_estimated_absorpt_t_max   0.281
_shelx_res_checksum              10175
_publcif_funding_html
;
;