Strontium Metaborate, SrB~2~O~4~
Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H.; Acta Crystallographica Section C 52 (1996) 498–500; doi:10.1107/S0108270195010341

data_2004652
_publ_section_title
;
 Strontium Metaborate, SrB~2~O~4~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              498
_journal_page_last               500
_journal_paper_doi               10.1107/S0108270195010341
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'Sr B2 O4'
_chemical_formula_sum            'B2 O4 Sr'
_chemical_formula_weight         173.24
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                   12.0135(7)
_cell_length_b                   4.339(2)
_cell_length_c                   6.5864(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      20.12
_cell_measurement_theta_min      15.95
_cell_volume                     343.33(16)
_computing_cell_refinement       SDP
_computing_data_collection       'SDP (Enraf-Nonius, 1985)'
_computing_data_reduction        SDP
_computing_molecular_graphics    'ORTEP (Johnson, 1971)'
_computing_publication_material  'GEOM (Shin, 1978)'
_computing_structure_refinement  'SHELX76(Sheldrick, 1976)'
_computing_structure_solution    'SHELX86(Sheldrick, 1985)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            363
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.082
_exptl_absorpt_correction_T_max  0.9652
_exptl_absorpt_correction_T_min  0.1754
_exptl_absorpt_correction_type   'empirical (SDP; Enraf-Nonius, 1985)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.35
_exptl_crystal_density_meas      3.35
_exptl_crystal_density_method    densitometer
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.5271
_refine_ls_hydrogen_treatment    'No H atoms'
_refine_ls_number_parameters     33
_refine_ls_number_reflns         211
_refine_ls_R_factor_obs          0.0504
_refine_ls_shift/esd_max         0.007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.001588F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0551
_reflns_number_observed          211
_reflns_number_total             354
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            oh1085.cif
_cod_data_source_block           oh1085a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F)+0.001588F^2^]'
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)+0.001588F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        343.3(4)
_cod_database_code               2004652