Fe~2~Al~3~Si~3~
Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.; Acta Crystallographica Section C 51 (1995) 2461–2464; doi:10.1107/S0108270195007864

data_2004239
_publ_section_title
;
 Fe~2~Al~3~Si~3~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2461
_journal_page_last               2464
_journal_paper_doi               10.1107/S0108270195007864
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Al3 Fe2 Si3'
_chemical_formula_weight         276.9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 93.80(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.179(2)
_cell_length_b                   8.354(2)
_cell_length_c                   14.455(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      24.10
_cell_measurement_theta_min      8.28
_cell_volume                     865.0(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4864
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        '-4.7% (decay correction)'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.91
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            'grey with metallic shine'
_exptl_crystal_density_diffrn    4.25
_exptl_crystal_description       'roughly prismatic, elongated along [101]'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.5(2)
_refine_diff_density_min         -0.6(2)
_refine_ls_extinction_coef       2.40E-7(8)
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   0.64
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1289
_refine_ls_R_factor_obs          0.0170
_refine_ls_shift/esd_max         0.01
_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         0.0218
_reflns_number_observed          1289
_reflns_number_total             2517
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1127.cif
_cod_data_source_block           du1127a
_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        865.1(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Fe2 Al3 Si3'
_cod_database_code               2004239