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_4000753
_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 Se5.24 Ta4 Te2.76'
_chemical_formula_weight         1558.5
_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                   10.7389(10)
_cell_length_b                   10.7389(10)
_cell_length_c                   10.7389(10)
_cell_measurement_reflns_used    8695
_cell_measurement_temperature    295
_cell_measurement_theta_max      34.97
_cell_measurement_theta_min      6.58
_cell_volume                     1238.5(2)
_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
;'302 images collected with a CCD camera'
 'and 2&#x00B0; rotation and 40s 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  0.0985
_diffrn_reflns_av_sigmaI/netI    0.0103
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8695
_diffrn_reflns_theta_full        34.97
_diffrn_reflns_theta_max         34.97
_diffrn_reflns_theta_min         6.58
_exptl_absorpt_coefficient_mu    59.086
_exptl_absorpt_correction_T_max  0.2383
_exptl_absorpt_correction_T_min  0.0832
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            'metallic grey'
_exptl_crystal_density_diffrn    8.3558(13)
_exptl_crystal_description       'small slab from bigger single crystal'
_exptl_crystal_F_000             2578
_exptl_crystal_size_max          0.049
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.032
_refine_diff_density_max         1.82
_refine_diff_density_min         -2.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.13
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_number_constraints    3
_refine_ls_number_parameters     12
_refine_ls_number_reflns         319
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.0059
_refine_ls_shift/su_mean         0.0019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0009F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0383
_refine_ls_wR_factor_ref         0.0391
_reflns_number_gt                307
_reflns_number_total             319
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm200266n_si_004.cif
_cod_data_source_block           (I)
_cod_original_formula_sum        'Ga1 Se5.24 Ta4 Te2.76'
_cod_database_code               4000753