New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.
Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto; ACS applied materials & interfaces 11 (2019) 29047–29055; doi:10.1021/acsami.9b09982

data_4514466
_publ_section_title
;
 New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i>
 </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B =
 Li; C = Si, Al; X = O, N; 0 &#x2264; <i>m</i> &#x2264; 1; 0 &#x2264;
 <i>n</i> &#x2264; 1) Phosphors for High-Color-Rendering Warm White
 Light-Emitting Diodes.
;
_journal_issue                   32
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              29047
_journal_page_last               29055
_journal_paper_doi               10.1021/acsami.9b09982
_journal_volume                  11
_journal_year                    2019
_chemical_absolute_configuration unk
_chemical_formula_sum            'Al5.56 Eu0.15 Li N23.1 O6.32 Si14.27 Sr3.43'
_chemical_formula_weight         1306.44
_space_group_IT_number           156
_space_group_name_Hall           'P 3 -2"'
_space_group_name_H-M_alt        'P 3 m 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_audit_creation_date             2019-03-29T14:51:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.1029(2)
_cell_length_b                   12.1029(2)
_cell_length_c                   4.88250(10)
_cell_measurement_reflns_used    4534
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.261
_cell_measurement_theta_min      3.366
_cell_volume                     619.372(19)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2011)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12211
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         45.294
_diffrn_reflns_theta_min         1.943
_exptl_absorpt_coefficient_mu    8.723
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 2001
;
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    3.503
_exptl_crystal_description       columnar
_exptl_crystal_F_000             627.3
_exptl_crystal_size_max          0.084
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.016
_refine_diff_density_max         2.266
_refine_diff_density_min         -0.836
_refine_diff_density_rms         0.158
_refine_ls_abs_structure_details
;
 Flack x determined using 1099 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.018(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         3414
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0155P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                2913
_reflns_number_total             3414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b09982_si_002.cif
_cod_data_source_block           7278020301_p3m1
_cod_original_cell_volume        619.37(2)
_cod_original_formula_sum
'Al5.56 Eu0.15 Li N23.10 O6.32 Si14.27 Sr3.43'
_cod_database_code               4514466