Energy-Efficient, High-Color-Rendering LED Lamps Using Oxyfluoride and Fluoride Phosphors
Setlur, Anant A.; Radkov, Emil V.; Henderson, Claire S.; Her, Jae-Hyuk; Srivastava, Alok M.; Karkada, Nagaveni; Kishore, M. Satya; Kumar, N. Prasanth; Aesram, Danny; Deshpande, Anirudha; Kolodin, Boris; Grigorov, Ljudmil S.; Happek, Uwe; Chemistry of Materials 22 (2010) 4076–; doi:10.1021/cm100960g

data_4000883
_publ_section_title
;
 Energy-Efficient, High-Color-Rendering LED Lamps Using Oxyfluoride and
 Fluoride Phosphors
;
_journal_issue                   13
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4076
_journal_paper_doi               10.1021/cm100960g
_journal_volume                  22
_journal_year                    2010
_chemical_formula_moiety
;
(Sr0.5925Ca0.4Ce0.0075)3Al0.6Si0.4O4.4225F0.5775
;
_chemical_formula_structural
;
(Sr0.5925Ca0.4Ce0.0075)3Al0.6Si0.4O4.4225F0.5775
;
_chemical_formula_sum
'Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775'
_chemical_formula_weight         1264.57
_chemical_name_systematic
;
Strontium Calcium Aluminum Silicon Oxygen Fluoride
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           140
_space_group_name_H-M_alt        'I 4/m c m'
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.660270(79)
_cell_length_b                   6.660270(79)
_cell_length_c                   10.82919(12)
_cell_measurement_temperature    293
_cell_volume                     480.374(10)
_computing_cell_refinement       TOPAS
_computing_data_collection       SPEC
_computing_data_reduction        TOPAS
_computing_structure_refinement  TOPAS
_computing_structure_solution    TOPAS
_diffrn_ambient_temperature      293
_diffrn_detector                 '640-channel Si strip detector'
_diffrn_measurement_device_type  'Huber diffractometer'
_diffrn_radiation_monochromator  'sagittal focusing Si(111) monochromator'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77442
_diffrn_source                   synchrotron
_exptl_absorpt_correction_type   none
_pd_block_diffractogram_id       SCASOF-profile
_pd_char_colour                  yellow-green
_pd_instr_location
;
X14A, National Synchrotron Light Source, Brookhaven National Laboratory
;
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        62.2500
_pd_meas_2theta_range_min        3.4050
_pd_meas_number_of_points        11770
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        62.25
_pd_proc_2theta_range_min        6.0
_pd_proc_info_excluded_regions   3.4050-6.0000
_pd_proc_ls_background_function
;
Chebyshev polynomial with 18 coefficients
;
_pd_proc_ls_pref_orient_corr
;
none
;
_pd_proc_ls_profile_function
;
Simple_Axial_model function in TOPAS (Fundamental parameter approaches).
;
_pd_proc_ls_prof_R_factor        0.046
_pd_proc_ls_prof_wR_expected     0.024
_pd_proc_ls_prof_wR_factor       0.069
_pd_proc_wavelength              0.77442
_pd_spec_mounting
;
capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.870
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     52
_refine_ls_R_I_factor            0.040
_refine_ls_shift/su_max          0.001
_refine_ls_weighting_details     1/(sigma*sigma)
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cm100960g_si_001.cif
_cod_data_source_block           SCASOF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Tetragonal' changed to
'tetragonal' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        480.374(13)
_cod_original_formula_sum
;
Al0.6Ca1.2Ce0.0225F0.5775O4.4225Si0.4Sr1.7775
;
_cod_database_code               4000883