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_4001538
_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 H2 O26 P6'
_chemical_formula_weight         1288
_chemical_name_systematic        ' ?'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1662(4)
_cell_length_b                   13.9762(12)
_cell_length_c                   16.931(2)
_cell_measurement_reflns_used    46728
_cell_measurement_temperature    293
_cell_measurement_theta_max      40.00
_cell_measurement_theta_min      5.84
_cell_volume                     2405.6(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 1.00
_diffrn_measured_fraction_theta_max 1.00
_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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            46728
_diffrn_reflns_theta_full        40.00
_diffrn_reflns_theta_max         40.00
_diffrn_reflns_theta_min         5.84
_diffrn_standards_decay_%        no
_diffrn_standards_interval_count no
_diffrn_standards_interval_time  no
_diffrn_standards_number         no
_exptl_absorpt_coefficient_mu    10.121
_exptl_absorpt_correction_T_max  0.628
_exptl_absorpt_correction_T_min  0.372
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'sadabs V 2.03, Sheldrick'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.5550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick-like
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.337
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.046
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.28
_refine_ls_goodness_of_fit_ref   1.20
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     195
_refine_ls_number_reflns         7435
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0001
_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          0.0274
_refine_ls_wR_factor_ref         0.0312
_reflns_number_gt                5111
_reflns_number_total             7435
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm060275zsi20060203_102102.cif
_cod_data_source_block           (Cs2Ga6(OH)2(PO4)6)
_cod_database_code               4001538