Sm~5~Ga~3~
Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude; Acta Crystallographica Section C 61 (2005) i71–i72; doi:10.1107/S0108270105017324

data_2015028
_publ_section_title
;
 Sm~5~Ga~3~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i71
_journal_page_last               i72
_journal_paper_doi               10.1107/S0108270105017324
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Sm5 Ga3'
_chemical_formula_moiety         'Ga3 Sm5'
_chemical_formula_sum            'Ga3 Sm5'
_chemical_formula_weight         960.91
_chemical_name_systematic
;
pentasamarium trigallium
;
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8026(5)
_cell_length_b                   7.8026(5)
_cell_length_c                   14.1880(9)
_cell_measurement_reflns_used    10930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.14
_cell_measurement_theta_min      3.69
_cell_volume                     863.77(10)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2001)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2001)'
_computing_molecular_graphics    'Please provide missing details'
_computing_publication_material  'Please provide missing details'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0725
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10930
_diffrn_reflns_theta_full        26.14
_diffrn_reflns_theta_max         26.14
_diffrn_reflns_theta_min         3.69
_exptl_absorpt_coefficient_mu    42.511
_exptl_absorpt_correction_T_max  0.247
_exptl_absorpt_correction_T_min  0.048
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'[CrysAlis RED (Clark & Reid, 1995; Oxford Diffraction, 2001)]'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'triangular shape'
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.513
_refine_diff_density_min         -2.647
_refine_ls_extinction_coef       0.00135(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.519
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.519
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0260
_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^)+(0.0092P)^2^+14.6963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                440
_reflns_number_total             440
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            iz1058.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               2015028
_cod_database_fobs_code          2015028