Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
Norrestam, R.; Carlson, S.; Sjödin, A.; Acta Crystallographica Section C 50 (1994) 1847–1849; doi:10.1107/S0108270194007419

data_2010261
_publ_section_title
;
 Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and
 Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1847
_journal_page_last               1849
_journal_paper_doi               10.1107/S0108270194007419
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'B2 Ca0.339 Cu2 O6 Sr0.661'
_chemical_formula_sum            'B2 Ca0.339 Cu2 O6 Sr0.661'
_chemical_formula_weight         316.2(6)
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_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                   8.9692(9)
_cell_length_b                   8.9692(9)
_cell_length_c                   6.5400(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      29.1
_cell_measurement_theta_min      12.9
_cell_volume                     526.12(11)
_diffrn_measurement_device       'Siemens/Stoe AED 2'
_diffrn_measurement_method       \w-\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            654
_diffrn_reflns_theta_max         29.9
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_time  360
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.17
_exptl_absorpt_correction_T_max  0.66
_exptl_absorpt_correction_T_min  0.29
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.992(8)
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.6
_refine_diff_density_min         -1.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.27
_refine_ls_number_parameters     29
_refine_ls_number_reflns         198
_refine_ls_R_factor_obs          0.024
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^F + 0.0007F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          198
_reflns_number_total             250
_reflns_observed_criterion       I>5\s(I)
_cod_data_source_file            br1074.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^F + 0.0007F^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 +
0.0007F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        526.1(2)
_cod_database_code               2010261