Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr containing sialon (Sr0.94Eu0.06)(Al0.3Si0.7)4(N0.8O0.2)6
Yamane, Hisanori; Shimooka, Satoshi; Uheda, Kyota; Journal of Solid State Chemistry 190 (2012) 264–270; doi:10.1016/j.jssc.2012.02.055

data_1563009
_publ_section_title
;
 Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr
 containing sialon (Sr0.94Eu0.06)(Al0.3Si0.7)4(N0.8O0.2)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              264
_journal_page_last               270
_journal_paper_doi               10.1016/j.jssc.2012.02.055
_journal_volume                  190
_journal_year                    2012
_chemical_formula_moiety
'Al19.20 Eu0.96 N76.80 O19.20 Si44.80 Sr15.04'
_chemical_formula_sum            'Al1.2 Eu0.06 N4.8 O1.2 Si2.8 Sr0.94'
_chemical_formula_weight         288.96
_chemical_name_common
'europium strontium aluminum silicon nitride oxide'
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   5.8061(5)
_cell_length_b                   37.762(3)
_cell_length_c                   9.5936(9)
_cell_measurement_reflns_used    2867
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.23
_cell_volume                     2103.4(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'VESTA (Momma & Izumi:, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4839
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.14
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    11.112
_exptl_absorpt_correction_T_max  0.722838
_exptl_absorpt_correction_T_min  0.502660
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2201
_exptl_crystal_size_max          0.089
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.033
_refine_diff_density_max         1.857
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.263
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1201
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0576P)^2^+98.2613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                778
_reflns_number_total             1201
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-190-264.cif
_cod_data_source_block           SrEuAlSiNO
_cod_original_formula_sum        'Al1.20 Eu0.06 N4.80 O1.20 Si2.80 Sr0.94'
_cod_database_code               1563009
_cod_database_fobs_code 1563009