Sr~3~(Al~3+<i>x~</i>Si~13{-~<i>x</i>})(N~21{-~<i>x</i>}O~2+<i>x~</i>):Eu^2+^ (<i>x</i> σim 0): a monoclinic modification of Sr-sialon
Ishizawa, Nobuo; Kamoshita, Minami; Fukuda, Koichiro; Shioi, Kousuke; Hirosaki, Naoto; Acta Crystallographica Section E 66 (2010) i14–; doi:10.1107/S1600536810003223

data_2224854
_publ_section_title
;
 Sr~3~(Al~3+<i>x~</i>Si~13{-~<i>x</i>})(N~21{-~<i>x</i>}O~2+<i>x~</i>):Eu^2+^
 (<i>x</i> \sim 0): a monoclinic modification of Sr-sialon
;
_journal_coeditor_code           BR2134
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i14
_journal_paper_doi               10.1107/S1600536810003223
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'Sr3 Al3 Si13 N21 O2'
_chemical_formula_sum            'Al6 Eu0.18 N42 O4 Si26 Sr5.82'
_chemical_formula_weight         2081.94
_chemical_name_systematic
;
tristrontium trialuminium tridecasilicon henicosanitride dioxide
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_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                90.000(2)
_cell_formula_units_Z            1
_cell_length_a                   14.7557(5)
_cell_length_b                   7.4627(2)
_cell_length_c                   9.0348(3)
_cell_measurement_reflns_used    3169
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      35.71
_cell_measurement_theta_min      4.51
_cell_volume                     994.89(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ATOMS (Dowty, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11854
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.38
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.045
_exptl_absorpt_correction_T_max  0.9150
_exptl_absorpt_correction_T_min  0.5315
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    3.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1001.0
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.328
_refine_diff_density_min         -1.248
_refine_ls_abs_structure_details 'Flack (1983), 1942 Friedel pairs'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         4384
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0316P)^2^+7.9067P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1051
_reflns_number_gt                3672
_reflns_number_total             4384
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2134.cif
_cod_data_source_block           I
_cod_database_code               2224854
_cod_database_fobs_code          2224854