An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite
Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.; Microporous and Mesoporous Materials 151 (2012) 93–; doi:10.1016/j.micromeso.2011.11.009

data_1548098
_publ_section_title
;
 An X-ray single crystal study of alkaline cations influence on laumontite
 hydration ability: I. Humidity-induced hydration of Na,K-rich laumontite
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              93
_journal_paper_doi               10.1016/j.micromeso.2011.11.009
_journal_volume                  151
_journal_year                    2012
_chemical_formula_sum
'Al7.93 Ca2.73 H24.5 K1.03 Na1.44 O60.25 Si16.07'
_chemical_formula_weight         1836.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.072(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.6820(11)
_cell_length_b                   13.2002(8)
_cell_length_c                   7.5292(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1361.62(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_environment      'relative humidity 45%'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0812
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            13087
_diffrn_reflns_theta_full        31.81
_diffrn_reflns_theta_max         31.81
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    0.993
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             925
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2327
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0366
_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^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0904
_reflns_number_gt                1701
_reflns_number_total             2327
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lg_52_rh50_out.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Data collection conditions added'
_cod_original_cell_volume        1361.62(16)
_cod_original_formula_sum
'Al7.93 Ca2.73 H24.50 K1.03 Na1.44 O60.25 Si16.07'
_cod_database_code               1548098