New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity
Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G.; Chemistry of Materials 29 (2017) 8901–; doi:10.1021/acs.chemmater.7b03989

data_4002866
_publ_section_title
;
 New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity
;
_journal_issue                   20
_journal_name_full               'Chemistry of Materials'
_journal_page_first              8901
_journal_paper_doi               10.1021/acs.chemmater.7b03989
_journal_volume                  29
_journal_year                    2017
_chemical_formula_sum            'Al Mo6 Na9 O24'
_chemical_formula_weight         1193.5
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.9910(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4067(3)
_cell_length_b                   14.6428(3)
_cell_length_c                   10.6250(2)
_cell_measurement_temperature    293
_cell_volume                     2391.16(8)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'D8 ADVANCE Bruker'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    27.999
_exptl_crystal_density_diffrn    3.3153
_exptl_crystal_F_000             2224
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.021
_pd_meas_2theta_range_max        99.963
_pd_meas_2theta_range_min        7.000
_pd_meas_number_of_points        4479
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.021
_pd_proc_2theta_range_max        99.963
_pd_proc_2theta_range_min        7
_pd_proc_ls_background_function  '18 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0429
_pd_proc_ls_prof_wR_expected     0.0207
_pd_proc_ls_prof_wR_factor       0.0594
_refine_diff_density_max         1.16
_refine_diff_density_min         -0.92
_refine_ls_goodness_of_fit_all   2.87
_refine_ls_number_constraints    1
_refine_ls_number_parameters     80
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.0480
_refine_ls_shift/su_mean         0.0091
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0421
_refine_ls_wR_factor_gt          0.0420
_cod_data_source_file            cm7b03989_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4002866.cif.
;
_cod_original_cell_volume        2391.16(9)
_cod_original_formula_sum        'Al1 Mo6 Na9 O24'
_cod_database_code               4002866