Thallous nitrate (III): a single-crystal neutron study
Sastry, P.U.M.; Rajagopal, H.; Sequiera, A.; Acta Crystallographica Section C 50 (1994) 1854–1857; doi:10.1107/S0108270194005469

data_2010258
_publ_section_title
;
 Thallous nitrate (III): a single-crystal neutron study
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1854
_journal_page_last               1857
_journal_paper_doi               10.1107/S0108270194005469
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'N1 O3 Tl1'
_chemical_formula_sum            'N O3 Tl'
_chemical_formula_weight         266.38
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   12.355(5)
_cell_length_b                   8.025(3)
_cell_length_c                   6.298(2)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    300
_cell_measurement_theta_max      29
_cell_measurement_theta_min      7
_cell_volume                     624.4(4)
_diffrn_measurement_device       four-circle
_diffrn_measurement_method       '\q-2\q,step scanning'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.216
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            230
_diffrn_reflns_theta_max         31.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.0068
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.983
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    5.679
_exptl_crystal_description       'rhombohedral platelet'
_exptl_crystal_size_max          5.4
_exptl_crystal_size_mid          3.8
_exptl_crystal_size_min          2.3
_refine_ls_extinction_coef       'y~s~(min) = 0.12'
_refine_ls_extinction_method     'Type II (Coppens & Hamilton, 1970)'
_refine_ls_goodness_of_fit_obs   1.473
_refine_ls_number_parameters     61
_refine_ls_number_reflns         191
_refine_ls_R_factor_obs          0.0165
_refine_ls_shift/esd_max         3.47
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;1/[0.03F~c~^2^ + 0.0076yk^2^]^2^ where k = 4.857 and y is the
 extinction coefficient
;
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          191
_reflns_number_total             230
_reflns_observed_criterion       F~o~^2^>\s(F~o~^2^)
_cod_data_source_file            br1066.cif
_cod_data_source_block           br1066a
_cod_original_formula_sum        'N1 O3 Tl1'
_cod_database_code               2010258