Low-Pressure Polymorph of Co~3~Al~2~Si~3~O~12~
Ohashi, H.; Osawa, T.; Sato, A.; Acta Crystallographica Section C 51 (1995) 2213–2215; doi:10.1107/S0108270195004719

data_2004173
_publ_section_title
;
 Low-Pressure Polymorph of Co~3~Al~2~Si~3~O~12~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2213
_journal_page_last               2215
_journal_paper_doi               10.1107/S0108270195004719
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Al2 Co3 O12 Si3'
_chemical_formula_weight         507.01
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I a -3 d'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.4603(2)
_cell_length_b                   11.4603(2)
_cell_length_c                   11.4603(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298
_cell_measurement_theta_max      29.7
_cell_measurement_theta_min      28.9
_cell_volume                     1505.18(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            936
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        -0.5
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.32
_exptl_absorpt_correction_T_max  0.565
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   spherical
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    4.48
_exptl_crystal_description       Sphere
_exptl_crystal_size_rad          0.055
_refine_diff_density_max         0.621
_refine_diff_density_min         -0.576
_refine_ls_extinction_coef       9.201E-8
_refine_ls_extinction_method     'isotropic secondary'
_refine_ls_goodness_of_fit_obs   1.014
_refine_ls_number_parameters     18
_refine_ls_number_reflns         237
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         <0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          237
_reflns_number_total             283
_reflns_observed_criterion       F>2\sF
_cod_data_source_file            oh1074.cif
_cod_data_source_block           oh1074a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1505.18(3)
_cod_original_sg_symbol_H-M      'I a-3d'
_cod_database_code               2004173