<i>T</i>-phase Al~18~Mg~3~Mn~2~
Fun, H.-K.; Lin, H.-C.; Lee, T.-J.; Yip, B.-C.; Acta Crystallographica Section C 50 (1994) 661–663; doi:10.1107/S0108270193014453

data_2009717
_publ_section_title
;
 <i>T</i>-phase Al~18~Mg~3~Mn~2~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              661
_journal_page_last               663
_journal_paper_doi               10.1107/S0108270193014453
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Al18 Mg3 Mn2'
_chemical_formula_weight         668.5
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m'
_atom_type_scat_source           SHELXTL/PC
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.517(3)
_cell_length_b                   14.517(3)
_cell_length_c                   14.517(3)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    298
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      7.5
_cell_volume                     3059.4(11)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '2\q/\q speed 5.33 to 29.30\% min^-1^ in 2\q'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.06453
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1402
_diffrn_reflns_theta_max         32.5
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.786
_exptl_absorpt_correction_T_max  0.4062
_exptl_absorpt_correction_T_min  0.2715
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Metallic grey'
_exptl_crystal_density_diffrn    2.902
_exptl_crystal_description       'Truncated octahedral shape'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.65
_refine_ls_extinction_coef       '\c = 0.00003(1)'
_refine_ls_extinction_method
'F^*^=F~c~{1.0 +0.002\cF~c~^2^/sin(2\q]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.02
_refine_ls_number_parameters     17
_refine_ls_number_reflns         239
_refine_ls_R_factor_obs          0.0269
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=[\s^2^(F) + 0.00005F^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0267
_reflns_number_observed          239
_reflns_number_total             307
_reflns_observed_criterion       F>5\s(F)
_cod_data_source_file            li1077.cif
_cod_data_source_block           li1077a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=[\s^2^(F) + 0.00005F^2^]^-1^'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w=[\s^2^(F) +
0.00005F^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3060(3)
_cod_original_sg_symbol_H-M      Fd-3m
_cod_database_code               2009717