Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties
Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio; RSC Advances 11 (2021) 13814–13820; doi:10.1039/D0RA10620H

data_7242652
_publ_section_title
;
 Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal
 structure, stability and transport properties
;
_journal_issue                   23
_journal_name_full               'RSC Advances'
_journal_page_first              13814
_journal_page_last               13820
_journal_paper_doi               10.1039/D0RA10620H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_iupac          Sr11Mo4O23
_chemical_formula_sum            'Mo4 O23 Sr11'
_chemical_formula_weight         1715.57
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_update_record
;
2020-12-07 deposited with the CCDC.	2021-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.61883(3)
_cell_length_b                   16.61883(3)
_cell_length_c                   16.61883(3)
_cell_measurement_temperature    1073
_cell_volume                     4589.880(14)
_diffrn_ambient_temperature      1073
_diffrn_measurement_device_type  ALBA-bl04
_diffrn_radiation_probe          x-rays
_diffrn_radiation_wavelength     0.3252
_exptl_crystal_preparation       electrolyte
_exptl_crystal_recrystallization_method 'Solid state reaction'
_pd_calc_method                  '   Rietveld Refinement'
_pd_instr_location
' ?                                                                                         '
_pd_meas_2theta_range_inc        0.003000
_pd_meas_2theta_range_max        38.958000
_pd_meas_2theta_range_min        1.020000
_pd_proc_2theta_range_inc        0.003000
_pd_proc_2theta_range_max        38.959221
_pd_proc_2theta_range_min        1.021220
_pd_proc_info_excluded_regions
' ?                                                                                         '
_pd_proc_ls_background_function  '   FullProf Background function number  '
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
'                                                                              '
_pd_proc_ls_prof_R_factor        8.5240
_pd_proc_ls_prof_wR_expected     8.6038
_pd_proc_ls_prof_wR_factor       11.4122
_pd_proc_number_of_points        9333
_pd_spec_mounting                ' ?'
_cod_data_source_file            d0ra10620h2.cif
_cod_data_source_block           Sr11Mo4O23_800
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        4589.880(12)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        Sr11Mo4O23
_cod_database_code               7242652
_pd_proc_ls_prof_cr_factor       29.8114
_pd_proc_ls_prof_cwr_factor      22.3580
_pd_proc_ls_prof_cwr_expected    16.8559
_pd_proc_ls_prof_chi2            1.7594
_pd_proc_ls_prof_echi2           1.7140