Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure
Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying; CrystEngComm  (2020) –; doi:10.1039/D0CE00322K

data_7240839
_publ_section_title
;
 Energy transfer, multi-colour emission and high thermal stability
 behaviour of K2Tb1&#x2212;xEuxHf(PO4)3 with langbeinite-type structure
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00322K
_journal_year                    2020
_chemical_formula_sum            'Hf K2 O12 P3 Tb'
_chemical_formula_weight         700.52
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-02 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3003(11)
_cell_length_b                   10.3003(11)
_cell_length_c                   10.3003(11)
_cell_measurement_temperature    296(2)
_cell_volume                     1092.8(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0864
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7333
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.150
_diffrn_reflns_theta_min         2.797
_exptl_absorpt_coefficient_mu    17.174
_exptl_crystal_density_diffrn    4.258
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.169
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.229
_refine_ls_abs_structure_details
;
 Flack x determined using 323 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_coef       0.0015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0186P)^2^+7.1292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0658
_reflns_Friedel_coverage         0.732
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                819
_reflns_number_total             911
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce00322k2.cif
_cod_data_source_block           a
_cod_original_cell_volume        1092.8(4)
_cod_database_code               7240839
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.148
_shelx_estimated_absorpt_t_max   0.232
_shelx_res_checksum              93992