Li~3~BS~3~
Vinatier, P.; Gravereau, P.; Ménétrier, M.; Trut, L.; Levasseur, A.; Acta Crystallographica Section C 50 (1994) 1180–1183; doi:10.1107/S0108270193013630

data_2009946
_publ_section_title
;
 Li~3~BS~3~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1180
_journal_page_last               1183
_journal_paper_doi               10.1107/S0108270193013630
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'B Li3 S3'
_chemical_formula_weight         127.83
_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            4
_cell_length_a                   8.150(3)
_cell_length_b                   10.070(3)
_cell_length_c                   6.159(2)
_cell_measurement_reflns_used    '14 (from powder Co K\a~1~, \l = 1.7890 \%A)'
_cell_measurement_temperature    293
_cell_measurement_theta_max      46
_cell_measurement_theta_min      18.5
_cell_volume                     505.5(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  '0.050 (after absorption correction)'
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4593
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        -2.5
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.23
_exptl_absorpt_correction_T_max  1.409
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   'empirical (ABSORB; Ugozzoli, 1987)'
_exptl_crystal_colour            'Yellowish white'
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      1.69
_exptl_crystal_description       'Irregular fragment'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.795
_refine_ls_number_parameters     37
_refine_ls_number_reflns         670
_refine_ls_R_factor_obs          0.069
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.058
_reflns_number_observed          2079
_reflns_number_total             670
_reflns_observed_criterion       I>=3.0\s(I)
_cod_data_source_file            du1068.cif
_cod_data_source_block           du1068_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~)]' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(F~o~)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'B1 Li3 S3'
_cod_database_code               2009946