SrKB~5~O~9~
Tu, J.-M.; Keszler, D. A.; Acta Crystallographica Section C 51 (1995) 341–343; doi:10.1107/S0108270194007493

data_2003244
_publ_section_title
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 SrKB~5~O~9~
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              341
_journal_page_last               343
_journal_paper_doi               10.1107/S0108270194007493
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
'grown from a melt of composition 1SrO:1K~2~O:4B~2'
_chemical_formula_sum            'B5 K O9 Sr'
_chemical_formula_weight         324.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 93.00(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.676(1)
_cell_length_b                   7.969(2)
_cell_length_c                   14.259(2)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296
_cell_measurement_theta_max      18
_cell_measurement_theta_min      15
_cell_volume                     757.6(2)
_diffrn_measurement_device       'Rigaku AFC-6R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2544
_diffrn_reflns_theta_max         37.5
_diffrn_standards_decay_%        'approx. 5.0'
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.479
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.847
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.10(2)
_exptl_crystal_size_mid          0.06(2)
_exptl_crystal_size_min          0.03(2)
_refine_diff_density_max         0.87
_refine_diff_density_min         0.71
_refine_ls_extinction_coef       0.78E-7(3)
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_obs   1.27
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1471
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.03
_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         0.048
_reflns_number_observed          1471
_reflns_number_total             2364
_reflns_observed_criterion       F~o~^2^>=3\s(F~o~^2^)
_cod_data_source_file            br1081.cif
_cod_data_source_block           br1081_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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 
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_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003244