Structure and ionic conductivity of well-aligned polycrystalline sodium titanogallate grown by reactive diffusion
Hasegawa, Ryo; Okabe, Momoko; Asaka, Toru; Ishizawa, Nobuo; Fukuda, Koichiro; Journal of Solid State Chemistry 229 (2015) 252–259; doi:10.1016/j.jssc.2015.06.005

data_1561855
_publ_section_title
;
 Structure and ionic conductivity of well-aligned polycrystalline sodium
 titanogallate grown by reactive diffusion
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              252
_journal_page_last               259
_journal_paper_doi               10.1016/j.jssc.2015.06.005
_journal_volume                  229
_journal_year                    2015
_chemical_absolute_configuration .
_chemical_formula_moiety         'Ga4.369 Na0.85 O8 Ti0.511'
_chemical_formula_sum            'Ga4.369 Na0.85 O8 Ti0.511'
_chemical_formula_weight         476.6
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.566(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3463(3)
_cell_length_b                   2.9855(1)
_cell_length_c                   9.4088(2)
_cell_measurement_temperature    293
_cell_volume                     292.279(14)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_unetI/netI     0.0117
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5969
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    20.627
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick: 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.416
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.046
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.004
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.66
_refine_ls_extinction_coef       130(30)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.97
_refine_ls_goodness_of_fit_ref   1.86
_refine_ls_number_constraints    7
_refine_ls_number_parameters     57
_refine_ls_number_reflns         503
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.0171
_refine_ls_shift/su_mean         0.0040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0282
_refine_ls_wR_factor_ref         0.0287
_reflns_number_gt                440
_reflns_number_total             503
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2015-229-252.CIF
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               1561855