Pr1.33Pt4Ga10: Superstructure and magnetism
Doan Nguyen, Sau; Ryan, Kevin; Chai, Ping; Shatruk, Michael; Xin, Yan; Chapman, Karena W.; Chupas, Peter J.; Fronczek, Frank R.; Macaluso, Robin T.; Journal of Solid State Chemistry 220 (2014) 9–16; doi:10.1016/j.jssc.2014.07.033

data_1562186
_publ_section_title
;
 Pr1.33Pt4Ga10: Superstructure and magnetism
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               16
_journal_paper_doi               10.1016/j.jssc.2014.07.033
_journal_volume                  220
_journal_year                    2014
_chemical_formula_sum            'Ga9.93 Pr1.42 Pt4'
_chemical_formula_weight         1672.77
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.3227(5)
_cell_length_b                   4.3227(5)
_cell_length_c                   16.485(3)
_cell_measurement_temperature    293(2)
_cell_volume                     266.77(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293.0(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            2762
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         45.24
_diffrn_reflns_theta_min         4.95
_exptl_absorpt_coefficient_mu    83.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    10.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         7.277
_refine_diff_density_min         -5.423
_refine_diff_density_rms         0.702
_refine_ls_extinction_coef       0.0121(9)
_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   1.144
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0329P)^2^+8.9211P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                430
_reflns_number_total             484
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-220-9.cif
_cod_data_source_block           Pr1.33Pt4Ga10
_cod_database_code               1562186