Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure
Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.; Chemistry of Materials 18 (2006) 2895–; doi:10.1021/cm060275z

data_4001537
_publ_section_title
;
 Unusual Mobility of Cesium via a Reversible Topotactic Dehydration
 Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel
 Structure
;
_journal_issue                   12
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2895
_journal_paper_doi               10.1021/cm060275z
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source        'synthesised by authors'
_chemical_formula_sum            'Cs2 Ga6 H5.1 O27.55 P6'
_chemical_formula_weight         1315
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.193(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2190(4)
_cell_length_b                   13.9566(15)
_cell_length_c                   17.260(2)
_cell_measurement_reflns_used    39034
_cell_measurement_temperature    293
_cell_measurement_theta_max      37.50
_cell_measurement_theta_min      5.85
_cell_volume                     2461.7(4)
_computing_cell_refinement       'EvalCCD (Duisenberg et al., 2003)'
_computing_data_collection       'EvalCCD (Duisenberg et al., 2003)'
_computing_data_reduction        'Jana2000 (Petricek and Dusek, 2000)'
_computing_molecular_graphics    'Diamond version 2.1e (Brandenburg, 2001)'
_computing_publication_material  'Jana2000 (Petricek and Dusek, 2000)'
_computing_structure_refinement  'Jana2000 (Petricek and Dusek, 2000)'
_computing_structure_solution    'Jana2000 (Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 9.09
_diffrn_measured_fraction_theta_full 0.95
_diffrn_measured_fraction_theta_max 0.95
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  Graphite
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0914
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39034
_diffrn_reflns_theta_full        37.50
_diffrn_reflns_theta_max         37.50
_diffrn_reflns_theta_min         5.85
_diffrn_standards_decay_%        no
_diffrn_standards_interval_count no
_diffrn_standards_interval_time  no
_diffrn_standards_number         no
_exptl_absorpt_coefficient_mu    9.899
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.316
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'sadabs V 2.03, Sheldrick'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.5471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick-like
_exptl_crystal_F_000             2434
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.034
_refine_diff_density_max         1.45
_refine_diff_density_min         -1.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.33
_refine_ls_goodness_of_fit_ref   1.17
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     398
_refine_ls_number_reflns         12372
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.0050
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0396
_refine_ls_wR_factor_ref         0.0443
_reflns_number_gt                7681
_reflns_number_total             12372
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm060275zsi20060203_102102.cif
_cod_data_source_block           (Cs2Ga6(OH)2(PO4)6.1.55H2O)
_cod_original_cell_volume        2461.6(4)
_cod_database_code               4001537