A new mixed-anion phosphate Cs2Bi2Sr(P2O7)(PO4)2: Synthesis, characterization, structure and its Eu3±activated luminescence
Guo, Shaoxing; Chen, Pengyun; Song, Limei; Guo, Ping; Gao, Jianhua; Journal of Solid State Chemistry 288 (2020) 121411–; doi:10.1016/j.jssc.2020.121411

data_1559843
_publ_section_title
;
 A new mixed-anion phosphate Cs2Bi2Sr(P2O7)(PO4)2: Synthesis,
 characterization, structure and its Eu3+-activated luminescence
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              121411
_journal_paper_doi               10.1016/j.jssc.2020.121411
_journal_volume                  288
_journal_year                    2020
_chemical_formula_sum            'Bi4 Cs4 O30 P8 Sr2'
_chemical_formula_weight         2270.56
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.25505/fiz.icsd.cc23sl1k
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-10-18 deposited with the CCDC.	2020-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.160(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.708(10)
_cell_length_b                   9.156(5)
_cell_length_c                   9.221(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      1.15
_cell_volume                     1495.0(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Brucher SMART APEX CCD'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8230
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    32.344
_exptl_absorpt_correction_T_max  0.3
_exptl_absorpt_correction_T_min  0.1
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.044
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1976.0
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.363
_refine_diff_density_min         -2.956
_refine_diff_density_rms         0.403
_refine_ls_extinction_coef       0.00051(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3036
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                2742
_reflns_number_total             3036
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1960038.cif
_cod_data_source_block           xb2064
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1559843