Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12
Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson; Journal of the American Chemical Society 126 (2004) 10403–10409; doi:10.1021/ja0481474

data_4112881
_publ_section_title
;
 Synthesis and Crystal Structure of As-Synthesized and Calcined Pure
 Silica Zeolite ITQ-12
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10403
_journal_page_last               10409
_journal_paper_doi               10.1021/ja0481474
_journal_volume                  126
_journal_year                    2004
_chemical_compound_source        synth-as-discribed
_chemical_formula_analytical     Si24O48
_chemical_formula_moiety         Si3O6
_chemical_formula_structural     Si24O48
_chemical_formula_sum            'O6 Si3'
_chemical_formula_weight         180.24
_chemical_name_common            ITQ-12
_chemical_name_systematic        ' [Si24O48]-ITW-ITQ-12'
_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'
_audit_author_name               xy
_audit_creation_date             2004-05-25T12:20
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 105.3562(31)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   10.3359(4)
_cell_length_b                   15.0175(6)
_cell_length_c                   8.8638(4)
_cell_measurement_temperature    298
_cell_volume                     1326.71(10)
_computing_data_collection       GSAS
_computing_data_reduction        GSAS
_computing_structure_refinement  GSAS
_computing_structure_solution    EXPO
_diffrn_ambient_temperature      298
_diffrn_detector                 PSD
_diffrn_detector_type            PSD
_diffrn_measurement_device_type  Debey-Scherrer
_diffrn_radiation_monochromator  Ga
_diffrn_radiation_polarisn_ratio 0.95
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71026
_diffrn_source                   Synchrotron
_diffrn_source_type              Synchrotron
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details   '    No correction is applied.'
_refine_ls_goodness_of_fit_all   6.61
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_restraints     12
_refine_ls_R_Fsqd_factor         0.10466
_refine_ls_shift/su_max          3.59
_refine_ls_shift/su_mean         0.06
_reflns_d_resolution_high        1.039
_reflns_d_resolution_low         8.547
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              8
_reflns_limit_l_min              -8
_reflns_number_observed          657
_cod_data_source_file            ja0481474si20040616_113600.cif
_cod_data_source_block           XY0309D-calcined-ITQ-12-C2/m
_cod_original_cell_volume        1326.70715
_cod_original_sg_symbol_Hall     C2/m
_cod_database_code               4112881