Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)
Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio; CrystEngComm 16 (2014) 10080–; doi:10.1039/C4CE01355G

data_7218127
_publ_section_title
;
 Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              10080
_journal_paper_doi               10.1039/C4CE01355G
_journal_volume                  16
_journal_year                    2014
_chemical_formula_analytical     'Bi Ge N O7'
_chemical_formula_moiety         'Bi Ge N O7'
_chemical_formula_structural     'Bi Ge N O7'
_chemical_formula_sum            'Bi Ge N O7'
_chemical_formula_weight         408.631
_chemical_name_common            BiGeO2(OH)2(NO3)
_chemical_name_systematic        'bisnuth germanium oxyhydroxy nitrate'
_chemical_properties_physical    Heat-sensitive
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   iterative
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.4551(1)
_cell_length_b                   4.95346(5)
_cell_length_c                   18.1676(2)
_cell_measurement_temperature    303
_cell_volume                     1030.873(18)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_ambient_temperature      303
_diffrn_measurement_device_type  'Rigaku SmartLab'
_diffrn_radiation_monochromator  No
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    5.2647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NA
_exptl_crystal_F_000             1432.00
_exptl_crystal_preparation       'precursor for synthesis of Bi4Ge3O12'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: water'
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_char_particle_morphology     thin_plate
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        150.0000
_pd_meas_2theta_range_min        5.0000
_pd_meas_number_of_points        14501
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        150.0000
_pd_proc_2theta_range_min        5.0000
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     no
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.03465
_pd_proc_ls_prof_wR_expected     0.02347
_pd_proc_ls_prof_wR_factor       0.04654
_pd_spec_mounting                'packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.9828
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    29
_refine_ls_number_parameters     39
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00813
_refine_ls_R_Fsqd_factor         0.00768
_refine_ls_R_I_factor            0.01331
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c4ce01355g1.cif
_cod_data_source_block           single_phase
_cod_depositor_comments
;
 Changing the _atom_site_type_symbol data item value for atom 'O3' from
 'Oh' to 'O' and marking it as having one attached hydrogen atom.

 Antanas Vaitkus,
 2017-01-22

 Adding full bibliography for 7218127.cif.
;
_cod_original_cell_volume        1030.87(2)
_cod_database_code               7218127
_publcif_datablock.id            {4bae31b4-af1b-4180-b5e4-170c1e244509}