Gd1.33Pt3(Al,Si)8 and Gd0.67Pt2(Al,Si)5: Two Structures Containing a Disordered Gd/Al Layer Grown in Liquid Aluminum
S. E. Latturner; M. G. Kanatzidis; Inorganic Chemistry 41 (2002) 5479–5486; doi:10.1021/ic025623n

data_4318707
_publ_section_title
;
 Gd1.33Pt3(Al,Si)8 and Gd0.67Pt2(Al,Si)5: Two Structures Containing a
 Disordered Gd/Al Layer Grown in Liquid Aluminum
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5479
_journal_page_last               5486
_journal_paper_doi               10.1021/ic025623n
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Al4 Gd0.66 Pt2 Si'
_chemical_formula_weight         629.97
_chemical_name_systematic
;

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;
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   4.2482(6)
_cell_length_b                   4.2482(6)
_cell_length_c                   16.156(3)
_cell_measurement_temperature    293(2)
_cell_volume                     252.51(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2262
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    32.310
_exptl_crystal_density_diffrn    8.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             264
_refine_diff_density_max         2.134
_refine_diff_density_min         -4.527
_refine_diff_density_rms         0.572
_refine_ls_extinction_coef       0.0085(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0458P)^2^+0.1668P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                143
_reflns_number_total             150
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025623n_4.cif
_cod_data_source_block           2sl122bc
_cod_database_code               4318707