Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)
Guiot, V.; Janod, E.; Corraze, B.; Cario, L.; Chemistry of Materials 23 (2011) 2611–; doi:10.1021/cm200266n

data_4000752
_publ_section_title
;
 Control of the Electronic Properties and Resistive Switching in the New
 Series of Mott Insulators GaTa4Se8--yTey(0 &#x2264;y&#x2264; 6.5)
;
_journal_issue                   10
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2611
_journal_paper_doi               10.1021/cm200266n
_journal_volume                  23
_journal_year                    2011
_chemical_formula_sum            'Ga Se2 Ta4 Te6'
_chemical_formula_weight         1717
_chemical_name_systematic        ' ?'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9955(13)
_cell_length_b                   10.9955(13)
_cell_length_c                   10.9955(13)
_cell_measurement_reflns_used    5563
_cell_measurement_temperature    295
_cell_measurement_theta_max      34.81
_cell_measurement_theta_min      6.43
_cell_volume                     1329.4(3)
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method
;'462 images collected with a CCD camera'
 'and 1&#x00B0; rotation and 45s exposure per frame'
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_av_sigmaI/netI    0.0147
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5563
_diffrn_reflns_theta_full        34.81
_diffrn_reflns_theta_max         34.81
_diffrn_reflns_theta_min         6.43
_exptl_absorpt_coefficient_mu    53.132
_exptl_absorpt_correction_T_max  0.5203
_exptl_absorpt_correction_T_min  0.2176
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            'metallic grey'
_exptl_crystal_density_diffrn    8.5763(18)
_exptl_crystal_description       'small slab from bigger single crystal'
_exptl_crystal_F_000             2812
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.027
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.40
_refine_diff_density_min         -1.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.16
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_number_constraints    3
_refine_ls_number_parameters     12
_refine_ls_number_reflns         331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.0043
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0521
_reflns_number_gt                329
_reflns_number_total             331
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cm200266n_si_003.cif
_cod_data_source_block           (I)
_cod_original_cell_volume        1329.4(5)
_cod_original_formula_sum        'Ga1 Se2 Ta4 Te6'
_cod_database_code               4000752