Synthesis, Structure, and Spectroscopic Properties of Am(IO3)3 and the Photoluminescence Behavior of Cm(IO3)3
Richard E. Sykora; Zerihun Assefa; Richard G. Haire; Thomas E. Albrecht-Schmitt; Inorganic Chemistry 44 (2005) 5667–5676; doi:10.1021/ic050386k

data_4309330
_publ_contact_author
;
Dr. Richard E. Sykora 
PO Box 2008 MS6375
Transuranium Research Laboratory
Oak Ridge National Laboratory
Oak Ridge, TN
37831
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_publ_contact_author_email       ' sykorare@ornl.gov '
_publ_contact_author_fax         ' 865 574 4987 '
_publ_contact_author_phone       ' 865 574 0846 '
_publ_section_title
;
Synthesis, Structure, and Spectroscopic Properties of Am(IO3)3 and the
Photoluminescence Behavior of Cm(IO3)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5667
_journal_page_last               5676
_journal_paper_doi               10.1021/ic050386k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Am I3 O9'
_chemical_formula_weight         767.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.0350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2300(5)
_cell_length_b                   8.5511(6)
_cell_length_c                   13.5361(10)
_cell_measurement_reflns_used    8092
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.83
_cell_volume                     824.06(10)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX'
_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  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8092
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    20.573
_exptl_absorpt_correction_T_max  '0.055612 ratio of min/max'
_exptl_absorpt_correction_T_min  '0.055612 ratio of min/max'
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing Acta Cryst 1995,A51,33'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular prism'
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.259
_exptl_crystal_size_mid          0.212
_exptl_crystal_size_min          0.162
_refine_diff_density_max         3.738
_refine_diff_density_min         -3.728
_refine_diff_density_rms         0.435
_refine_ls_extinction_coef       0.0046(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         2051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0292
_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^)+(0.0419P)^2^+0.5737P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                1912
_reflns_number_total             2051
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050386ksi20050315_095303.cif
_cod_data_source_block           Am(IO3)3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multiscan' changed to 'multi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4309330