Eu~3~Si~15{-~<i>x</i>}Al~1+<i>x~</i>O~<i>x~</i>N~23{-~<i>x</i>} (<i>x</i> ≃5/3) as a commensurate composite crystal
Michiue, Yuichi; Shioi, Kousuke; Hirosaki, Naoto; Takeda, Takashi; Xie, Rong-Jun; Sato, Akira; Onoda, Mitsuko; Matsushita, Yoshitaka; Acta Crystallographica Section B 65 (2009) 567–575; doi:10.1107/S0108768109030419

data_2104446
_publ_section_title
;
 Eu~3~Si~15{-~<i>x</i>}Al~1+<i>x~</i>O~<i>x~</i>N~23{-~<i>x</i>}
 (<i>x</i> \\simeq 5/3) as a commensurate composite crystal
;
_journal_coeditor_code           SN5084
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              567
_journal_page_last               575
_journal_paper_doi               10.1107/S0108768109030419
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'Al2.667 Eu3 N21.333 O1.667 Si13.333'
_chemical_formula_weight         1227.8
_chemical_name_systematic        ' ?'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.2240(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.6970(9)
_cell_length_b                   9.036(2)
_cell_length_c                   7.4677(7)
_cell_measurement_temperature    295
_cell_volume                     991.7(2)
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measurement_device_type  'Bruker SMART APEX CCDarea-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22393
_diffrn_reflns_theta_full        34.53
_diffrn_reflns_theta_max         40.4
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    10.369
_exptl_absorpt_correction_T_max  0.4324
_exptl_absorpt_correction_T_min  0.0354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            pale_yellow
_exptl_crystal_density_diffrn    4.1102
_exptl_crystal_description       plate
_exptl_crystal_F_000             1146
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         5.13
_refine_diff_density_min         -3.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.15
_refine_ls_number_constraints    161
_refine_ls_number_parameters     266
_refine_ls_number_reflns         10994
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.0204
_refine_ls_shift/su_mean         0.0035
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.000004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                10354
_reflns_number_total             10994
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sn5084.cif
_cod_data_source_block           3d
_cod_database_code               2104446
_cod_database_fobs_code          2104446