Color tunability and energy transfer studies of a new Eu3+ doped langbeinite-type phosphate phosphor for lighting applications
Zhang, Shi-Rui; Zhao, Dan; Fan, Yun-Chang; Ma, Zhao; Xue, Ya-Li; Li, Ya-Nan; Journal of Solid State Chemistry 279 (2019) 120965–; doi:10.1016/j.jssc.2019.120965

data_1561667
_publ_section_title
;
 Color tunability and energy transfer studies of a new Eu3+ doped
 langbeinite-type phosphate phosphor for lighting applications
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              120965
_journal_paper_doi               10.1016/j.jssc.2019.120965
_journal_volume                  279
_journal_year                    2019
_chemical_formula_sum            'Dy Hf K2 O12 P3'
_chemical_formula_weight         704.10
_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'
_atom_sites_solution_hydrogens   .
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_a                   10.2733(5)
_cell_length_b                   10.2733(5)
_cell_length_c                   10.2733(5)
_cell_measurement_reflns_used    1074
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.51
_cell_measurement_theta_min      2.29
_cell_volume                     1084.25(9)
_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)'
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_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  0.0269
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_k_min       -5
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_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.804
_exptl_absorpt_coefficient_mu    17.679
_exptl_absorpt_correction_T_max  0.376
_exptl_absorpt_correction_T_min  0.108
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.313
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details
;
 Flack x determined using 376 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.008(7)
_refine_ls_extinction_coef       0.00113(18)
_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   1.228
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     59
_refine_ls_number_reflns         910
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0156
_refine_ls_R_factor_gt           0.0153
_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^)+(0.0096P)^2^+3.2028P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0363
_refine_ls_wR_factor_ref         0.0364
_reflns_Friedel_coverage         0.730
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                905
_reflns_number_total             910
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2019-279-120965.cif
_cod_data_source_block           a
_cod_original_cell_volume        1084.25(16)
_cod_database_code               1561667
_shelx_estimated_absorpt_t_min   0.143
_shelx_estimated_absorpt_t_max   0.191
_shelx_res_checksum              64482
_shelx_hkl_checksum              56644
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n
_publcif_funding_html
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