Gallium tris(iodate), Ga(IO~3~)~3~
Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang; Acta Crystallographica Section C 61 (2005) i109–i110; doi:10.1107/S0108270105029835

data_2015120
_publ_section_title
;
 Gallium tris(iodate), Ga(IO~3~)~3~
;
_journal_coeditor_code           EM1002
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i109
_journal_page_last               i110
_journal_paper_doi               10.1107/S0108270105029835
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Ga (I1 O3)3'
_chemical_formula_moiety         'Ga I3 O9'
_chemical_formula_sum            'Ga I3 O9'
_chemical_formula_weight         594.42
_chemical_name_systematic
;
Gallium tris(iodate)
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.0924(5)
_cell_length_b                   9.0924(5)
_cell_length_c                   5.2862(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290
_cell_measurement_theta_max      22.15
_cell_measurement_theta_min      20.14
_cell_volume                     378.47(6)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection
'Rigaku/AFC Diffractometer Control Software (Rigaku Corporation, 1994)'
_computing_data_reduction        'Rigaku/AFC Diffractometer Control Software'
_computing_molecular_graphics    'ATOMS (Dowty, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      290
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       2\q-\w
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2720
_diffrn_reflns_theta_full        32.52
_diffrn_reflns_theta_max         32.52
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        +-0.85
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.897
_exptl_absorpt_correction_T_max  0.210
_exptl_absorpt_correction_T_min  0.150
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Kopfman & Huber, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.634
_refine_diff_density_min         -1.025
_refine_ls_abs_structure_details 'Flack (1983), 412 Friedel pairs'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_coef       0.0907(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.271
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         913
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.270
_refine_ls_R_factor_all          0.0166
_refine_ls_R_factor_gt           0.0158
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.013P)^2^+0.3153P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0365
_refine_ls_wR_factor_ref         0.0367
_reflns_number_gt                902
_reflns_number_total             913
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            em1002.cif
_cod_data_source_block           I
_cod_database_code               2015120