Crystal structure of ytterbium triiodate dihydrate, Yb[IO~3~]~3~ · 2H~2~O
Phanon, D.; Gautier-Luneau, I.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 245–246; doi:

data_8102944
_publ_section_title
;
Crystal structure of ytterbium triiodate dihydrate, Yb[IO~3~]~3~ &#x00B7; 
2H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              245
_journal_page_last               246
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     'Yb[IO3]3 &#x00B7; 2H2O'
_chemical_formula_sum            'H4 I3 O11 Yb'
_chemical_formula_weight         733.77
_chemical_name_systematic
;
 ytterbium triiodate dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.54(1)
_cell_angle_beta                 85.18(1)
_cell_angle_gamma                71.90(1)
_cell_formula_units_Z            2
_cell_length_a                   7.268(1)
_cell_length_b                   7.441(1)
_cell_length_c                   9.319(1)
_cell_measurement_temperature    293(1)
_cell_volume                     470.88(11)
_computing_molecular_graphics    GRETEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       omega/phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56085
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7810
_diffrn_reflns_theta_full        21.4
_diffrn_reflns_theta_max         21.4
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    10.564
_exptl_absorpt_correction_T_max  0.329
_exptl_absorpt_correction_T_min  0.234
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Coppens, 1970'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.234
_refine_diff_density_min         -2.609
_refine_diff_density_rms         0.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.226
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.226
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+2.1909P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                1913
_reflns_number_total             2159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409879.cff
_cod_data_source_block           Yb(IO3)3_2H2O
_cod_original_cell_volume        470.9(1)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'H4 I3 O11 Yb1'
_cod_database_code               8102944