Characterization and structure determination of ammonium bismuth oxalate hydrate Bi(NH~4~)(C~2~O~4~)~2~.xH~2~O
G. Vanhoyland; A. Le Bail; J. Mullens; L. C. Van Poucke; Inorganic Chemistry 43 (2004) 785–789; doi:10.1021/ic034509h

data_4310396
_publ_contact_author_address
;
      Laboratory for Inorganic and Physical Chemistry
    Instituut voor Materiaalonderzoek
    Limburgs Universitair Centrum
    Wetenschapspark 1, 3590 Diepenbeek (Belgium)
;
_publ_contact_author_email       geert.vanhoyland@luc.ac.be
_publ_contact_author_fax         ++32/(0)11/26.88.99
_publ_contact_author_name        'Dr. G. Vanhoyland'
_publ_contact_author_phone       ++32/(0)11/26.88.17
_publ_section_title
;
 Characterization and structure determination of ammonium bismuth oxalate
 hydrate Bi(NH~4~)(C~2~O~4~)~2~.xH~2~O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              785
_journal_page_last               789
_journal_paper_doi               10.1021/ic034509h
_journal_volume                  43
_journal_year                    2004
_chemical_formula_structural     Bi(NH4)(C2O4)2.3.7H20
_chemical_formula_sum            'C4 Bi N O11.7'
_chemical_formula_weight         470(1)
_chemical_name_systematic
;
bismut ammonium oxalate hydrate
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           141
_space_group_name_Hall           '-I 4bd 2'
_space_group_name_H-M_alt        'I 41/a m d :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.6896(2)
_cell_length_b                   11.6896(2)
_cell_length_c                   9.2357(3)
_cell_volume                     1262.03(5)
_computing_cell_refinement       'Treor97, Dicvol91, Pirum, Checkcell'
_computing_molecular_graphics    Diamond
_computing_publication_material  Diamond
_computing_structure_refinement  Fullprof
_computing_structure_solution    'Expo (direct methods)'
_diffrn_ambient_temperature      295
_diffrn_detector                 scintillation
_diffrn_measurement_device_type  'Siemens D5000'
_diffrn_radiation_monochromator  'Goebel mirror'
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.025
_pd_meas_2theta_range_max        130
_pd_meas_2theta_range_min        10
_pd_meas_number_of_points        4801
_pd_meas_scan_method             step
_pd_proc_ls_background_function  interpolation
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.140
_pd_spec_mounting
;
packed powder, diluted with glass (both sieved below 325 mesh)
;
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_number_parameters     24
_cod_data_source_file            ic034509hsi20031031_040916.cif
_cod_data_source_block           BiOx
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_original_cell_volume        1262.0
_cod_original_sg_symbol_Hall     -I_4bd_2
_cod_original_formula_sum        'Bi O11.7 C4 N'
_cod_database_code               4310396
_pd_proc_ls_prof_rb_factor       0.080
_pd_proc_ls_prof_rf_factor       0.079