Novel Microporous Europium and Terbium Silicates
Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos; Journal of the American Chemical Society 123 (2001) 5735–5742; doi:10.1021/ja010244z

data_4115581
_publ_contact_author_address
;
      Department of Chemistry
      University of Aveiro
      3810 Aveiro
      Portugal
;
_publ_contact_author_email       rocha@dq.ua.pt
_publ_contact_author_fax         '+351 234 370084'
_publ_contact_author_name        'Prof. Jo\~ao Rocha'
_publ_contact_author_phone       '+351 234 370730'
_publ_section_title
;
 Novel Microporous Europium and Terbium Silicates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5735
_journal_page_last               5742
_journal_paper_doi               10.1021/ja010244z
_journal_volume                  123
_journal_year                    2001
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'H10 Tb1 K1 Na2 O24 Si8'
_chemical_formula_sum            'K Na2 O24 Si8 Tb'
_chemical_formula_weight         852.72
_chemical_name_systematic
;
disodium potassium terbium octasilicate pentahydrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2001-20-13
_cell_angle_alpha                90
_cell_angle_beta                 90.288(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.945(3)
_cell_length_b                   14.019(2)
_cell_length_c                   6.5542(7)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      15.46
_cell_measurement_theta_min      3.68
_cell_volume                     2200.1(5)
_computing_cell_refinement       'Treor90 (Werner et al., 1985)'
_computing_data_collection       'Philips X'Pert Data Colector'
_computing_molecular_graphics
'STRUVIR [VRML version of STRUPLO (Fisher, 1985) created by A. LeBail]'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'FullProf (Rodriguez-Carvajal, 1990)'
_computing_structure_solution    'Expo (Altomare et al., 1999)'
_diffrn_ambient_temperature      298
_diffrn_detector                 'Xe sealed gas'
_diffrn_measurement_device_type  'pw3011-10 proportional detector'
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1454
_diffrn_reflns_theta_max         55.00
_diffrn_reflns_theta_min         6.31
_diffrn_source                   'ceramic diffraction X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    23.169
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.574
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.005
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.001
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_cons_illum_flag        no
_pd_instr_geometry               Bragg-Brentano
_pd_instr_location               ' ?'
_pd_instr_monochr_post_spec      'curved graphite'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110.00
_pd_meas_2theta_range_min        6.00
_pd_meas_number_of_points        5201
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        110.00
_pd_proc_2theta_range_min        12.00
_pd_proc_ls_background_function  '5th order polynomial function'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.137
_pd_proc_ls_prof_wR_expected     0.0585
_pd_proc_ls_prof_wR_factor       0.171
_pd_spec_mounting                ' packed powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              16
_pd_spec_size_equat              16
_pd_spec_size_thick              2.4
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.93
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    30
_refine_ls_number_parameters     78
_refine_ls_R_I_factor            0.0700
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_gt                1450
_reflns_number_total             1454
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja010244z_2.cif
_cod_data_source_block           na2ktbsi8o19
_cod_original_cell_volume        2200.1(4)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Tb K Na2 O24 Si8'
_cod_database_code               4115581