Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of high conductivity.
Takahashi, Yukari; Obara, Rena; Lin, Zheng-Zhong; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu; Ishibashi, Shoji; Terakura, Kiyoyuki; Dalton transactions (Cambridge, England : 2003) 40 (2011) 5563–5568; doi:10.1039/c0dt01601b

data_7015448
_publ_section_title
;
 Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of
 high conductivity.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5563
_journal_page_last               5568
_journal_paper_doi               10.1039/c0dt01601b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C H6 I3 N Sn '
_chemical_formula_sum            'C H6 I3 N Sn'
_chemical_formula_weight         531.47
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   6.2434(14)
_cell_length_b                   6.2434(14)
_cell_length_c                   6.2434(14)
_cell_measurement_reflns_used    3811
_cell_measurement_temperature    295
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      4.6
_cell_volume                     243.37(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    DirectMethod
_diffrn_ambient_temperature      295
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2155
_diffrn_reflns_theta_full        27.32
_diffrn_reflns_theta_max         27.32
_exptl_absorpt_coefficient_mu    12.057
_exptl_absorpt_correction_T_max  0.299
_exptl_absorpt_correction_T_min  0.129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             228.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.62
_refine_diff_density_min         -2.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_hydrogen_treatment    'not included'
_refine_ls_number_parameters     4
_refine_ls_number_reflns         82
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0100Fo^2^ + 1.0000?(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2520
_reflns_number_gt                81
_reflns_number_total             82
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0dt01601b.txt
_cod_data_source_block           '_SnI_cubic'
_cod_original_formula_sum        'C H6 I3 N Sn '
_cod_database_code               7015448