Sr~3~Al~10~SiO~20~ from single-crystal data
Rief, Andreas; Kubel, Frank; Acta Crystallographica Section E 63 (2007) i19–i21; doi:10.1107/S1600536806054936

data_2211811
_publ_section_title
;
 Sr~3~Al~10~SiO~20~ from single-crystal data
;
_journal_coeditor_code           FI2023
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i19
_journal_page_last               i21
_journal_paper_doi               10.1107/S1600536806054936
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Sr3 Al10 Si1 O20'
_chemical_formula_moiety         'Al10 O20 Si1 Sr3'
_chemical_formula_sum            'Al10 O20 Si Sr3'
_chemical_formula_weight         880.75
_chemical_name_systematic
;
tristrontium decaaluminum silicon icosaoxide
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 108.137(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   15.1438(18)
_cell_length_b                   11.1858(13)
_cell_length_c                   4.9018(6)
_cell_measurement_reflns_used    4207
_cell_measurement_temperature    298
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.31
_cell_volume                     789.09(16)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'Xtal3.2 (Hall <i>et al.</i>,  1992)'
_computing_molecular_graphics    Xtal3.2
_computing_publication_material  Xtal3.2
_computing_structure_refinement  Xtal3.2
_computing_structure_solution    Xtal3.2
_diffrn_ambient_temperature      295
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Siemens SMART APEX'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_av_sigmaI/netI    .041
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            4207
_diffrn_reflns_theta_full        30.49
_diffrn_reflns_theta_max         30.49
_diffrn_reflns_theta_min         2.31
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.861
_exptl_absorpt_correction_T_max  .3181
_exptl_absorpt_correction_T_min  .3023
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   '(Tibballs, 1982)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       splinter
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_exptl_crystal_size_rad          0.112
_refine_diff_density_max         1.663
_refine_diff_density_min         -1.154
_refine_ls_abs_structure_details None
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_all   1.702
_refine_ls_goodness_of_fit_ref   1.752
_refine_ls_matrix_type           full
_refine_ls_number_constraints    18
_refine_ls_number_parameters     86
_refine_ls_number_reflns         1022
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0
_refine_ls_R_factor_gt           .036
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .027
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .032
_reflns_number_gt                1022
_reflns_number_observed          4207
_reflns_number_total             1261
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            fi2023.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'spherical' was replaced
with 'sphere' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Al10 O20 Si1 Sr3'
_cod_database_code               2211811
_cod_database_fobs_code          2211811