K~3~Eu~5~(PO~4~)~6~: hydrothermal synthesis, crystal structure and photoluminescence properties
Xue, Ya-Li; Zhang, Ai-Yun; Han, Xiao-Yang; Cui, Xiao-Qi; Deng, Ling; Zhou, Yi-Xiang; Yu, Ya-Ping; Zhao, Dan; Acta Crystallographica Section C 75 (2019) –; doi:10.1107/S2053229619007794

data_2021661
_publ_section_title
;
 K~3~Eu~5~(PO~4~)~6~: hydrothermal synthesis, crystal structure and
 photoluminescence properties
;
_journal_coeditor_code           YP3185
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619007794
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'K3 Eu5 (P O4)6'
_chemical_formula_sum            'Eu5 K3 O24 P6'
_chemical_formula_weight         1446.92
_chemical_name_systematic
;
Tripotassium pentaeuropium hexaphosphate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                90
_cell_angle_beta                 114.4470(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4950(11)
_cell_length_b                   6.9483(4)
_cell_length_c                   18.1452(12)
_cell_measurement_reflns_used    1295
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.87
_cell_measurement_theta_min      2.03
_cell_volume                     2008.0(2)
_computing_cell_refinement
;
APEX2 (Bruker, 2017)
;
_computing_data_collection
;
APEX2 (Bruker, 2017)
;
_computing_data_reduction
;
APEX2 (Bruker, 2017)
;
_computing_molecular_graphics
;
;
_computing_publication_material
;
SHELXL2017 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2017 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6490
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.313
_diffrn_reflns_theta_min         2.466
_exptl_absorpt_coefficient_mu    16.612
_exptl_absorpt_correction_T_max  0.413
_exptl_absorpt_correction_T_min  0.085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 2017)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.786
_exptl_crystal_description       block
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.131
_refine_diff_density_min         -1.472
_refine_ls_extinction_coef       0.00040(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2017 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2460
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0256
_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^)+(0.0270P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0588
_refine_ls_wR_factor_ref         0.0620
_reflns_number_gt                2117
_reflns_number_total             2460
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            yp3185sup1.cif
_cod_data_source_block           I
_cod_database_code               2021661
_shelx_estimated_absorpt_t_min   0.136
_shelx_estimated_absorpt_t_max   0.190
_shelx_hkl_checksum              5879
_shelx_res_checksum              71296
_cod_database_fobs_code 2021661