Direct detection of minimum ionizing charged particles in a perovskite single crystal detector with single particle sensitivity.
Testa, Marianna; De Santis, Antonio; Tinti, Gemma; Paoloni, Alessandro; Papalino, Giuseppe; Felici, Giulietto; Chubinidze, Zaza; Matteocci, Fabio; Auf der Maur, Matthias; Rizzato, Silvia; Lo Presti, Leonardo; Viola, Ilenia; Morganti, Silvio; Rovelli, Chiara; Nanoscale 16 (2024) 12918–12922; doi:10.1039/d4nr01556h

data_1571954
_publ_section_title
;
 Direct detection of minimum ionizing charged particles in a perovskite
 single crystal detector with single particle sensitivity.
;
_journal_issue                   27
_journal_name_full               Nanoscale
_journal_page_first              12918
_journal_page_last               12922
_journal_paper_doi               10.1039/d4nr01556h
_journal_volume                  16
_journal_year                    2024
_chemical_formula_moiety         'C H6 Br3 N Pb'
_chemical_formula_sum            'C H6 Br3 N Pb'
_chemical_formula_weight         478.92
_chemical_name_systematic        'Methylamonium bromide lead perovskite'
_space_group_crystal_system      cubic
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-04-03 deposited with the CCDC.	2024-06-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.9175(3)
_cell_length_b                   5.9175(3)
_cell_length_c                   5.9175(3)
_cell_measurement_reflns_used    2692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.92
_cell_measurement_theta_min      3.44
_cell_volume                     207.212(18)
_computing_cell_refinement       'SAINT+ (Bruker AXS, Madison (USA) 1994-1996)'
_computing_data_collection       'SAINT+ (Bruker AXS, Madison (USA) 1994-1996)'
_computing_data_reduction        'SAINT+ (Bruker AXS, Madison (USA) 1994-1996)'
_computing_molecular_graphics
'DIAMOND v3.2k (Brandenburg,Bonn,DE, 1997-2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker AXS smart APEX II'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0063
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3164
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.162
_diffrn_reflns_theta_min         3.442
_diffrn_source                   'Sealed X-ray tube'
_exptl_absorpt_coefficient_mu    34.716
_exptl_absorpt_correction_T_max  0.4326
_exptl_absorpt_correction_T_min  0.1385
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sadabs (Bruker, 2007/4)'
_exptl_crystal_colour            orange
_exptl_crystal_description       rod
_exptl_crystal_F_000             206
_exptl_crystal_recrystallization_method
'inverse temperature crystallization from dimethylformamide (DMF)'
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       0.0327(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.271
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         90
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.271
_refine_ls_R_factor_all          0.0106
_refine_ls_R_factor_gt           0.0106
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.0125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0305
_refine_ls_wR_factor_ref         0.0305
_reflns_Friedel_coverage         0.000
_reflns_number_gt                91
_reflns_number_total             91
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nr01556h2.cif
_cod_data_source_block           PEROVRT
_cod_depositor_comments          'Adding full bibliography for 1571954.cif.'
_cod_original_cell_volume        207.21(3)
_cod_database_code               1571954
_shelx_res_checksum              47399
_shelx_hkl_checksum              2759