Monoclinic Y~2~Al~3~Si~2~ with a new structure type
Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Gladyshevskii, R.E.; Cerny, R.; Yvon, K.; Acta Crystallographica Section C 50 (1994) 1377–1379; doi:10.1107/S0108270194002933

data_2010029
_publ_section_title
;
 Monoclinic Y~2~Al~3~Si~2~ with a new structure type
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1377
_journal_page_last               1379
_journal_paper_doi               10.1107/S0108270194002933
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Al3 Si2 Y2'
_chemical_formula_weight         314.93
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 101.36(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.220(3)
_cell_length_b                   4.0354(9)
_cell_length_c                   6.617(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      7.5
_cell_volume                     267.55(13)
_diffrn_measurement_device       'Stoe Stadi 4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            962
_diffrn_reflns_theta_max         29.84
_diffrn_standards_decay_%        2.2-2.7
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    22.357
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            silverish
_exptl_crystal_density_diffrn    3.909
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.012
_refine_diff_density_max         3.8
_refine_diff_density_min         -3.9
_refine_ls_extinction_coef       'g = 0.021(3)'
_refine_ls_extinction_method     'Zachariasen (1968)'
_refine_ls_goodness_of_fit_obs   1.75
_refine_ls_number_parameters     24
_refine_ls_number_reflns         341
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.0001
_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         0.043
_reflns_number_observed          341
_reflns_number_total             447
_reflns_observed_criterion       |F|>3\s(|F|)
_cod_data_source_file            du1080.cif
_cod_data_source_block           du1080_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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        267.54(7)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Y2 Al3 Si2'
_cod_database_code               2010029