Cs~2~Ga~2~O(BO~3~)~2~
Smith, R. W.; Acta Crystallographica Section C 51 (1995) 547–549; doi:10.1107/S0108270194009418

data_2003326
_publ_section_title
;
 Cs~2~Ga~2~O(BO~3~)~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              547
_journal_page_last               549
_journal_paper_doi               10.1107/S0108270194009418
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'B2 Cs2 Ga2 O7'
_chemical_formula_weight         538.87
_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                 103.82(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.889(1)
_cell_length_b                   7.998(1)
_cell_length_c                   12.237(1)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      18
_cell_measurement_theta_min      15
_cell_volume                     844.79(16)
_diffrn_measurement_device       'Rigaku AFC6R'
_diffrn_measurement_method       2\q-\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2790
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        1.9
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.795
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    4.236
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.17
_refine_diff_density_min         -4.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.53
_refine_ls_hydrogen_treatment    'No H atoms'
_refine_ls_number_parameters     118
_refine_ls_number_reflns         2002
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.015
_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         0.069
_reflns_number_observed          2002
_reflns_number_total             2470
_reflns_observed_criterion       F~o~^2^>3\s(F~o~^2^)
_cod_data_source_file            br1078.cif
_cod_data_source_block           br1078a
_cod_depositor_comments
;
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_cell_volume        844.8(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003326