Superconductivity in the AlB2-Type Ternary Rare-Earth Silicide YbGa1.1Si0.9
Motoharu Imai; Akira Sato; Takeshi Aoyagi; Takashi Kimura; Yoshitaka Matsushita; Naohito Tsujii; Journal of the American Chemical Society 130 (2008) 2886–2887; doi:10.1021/ja077669r

data_4107510
_publ_section_title
;
 Superconductivity in the AlB2-Type Ternary Rare-Earth Silicide
 YbGa1.1Si0.9
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2886
_journal_page_last               2887
_journal_paper_doi               10.1021/ja077669r
_journal_volume                  130
_journal_year                    2008
_chemical_formula_analytical     'Yb0.98 Ga1.15 Si0.87'
_chemical_formula_moiety         'Yb0.5, Ga0.563(16) Si0.437'
_chemical_formula_structural     'Yb0.5 Ga0.563(16) Si0.437'
_chemical_formula_sum            'Ga1.13 Si0.87 Yb'
_chemical_formula_weight         276.09
_chemical_name_common            'Ytterbium gallium silicide'
_chemical_name_systematic
;
 Ytterbium gallium silicon
;
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_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            1
_cell_length_a                   4.1275(3)
_cell_length_b                   4.1275(3)
_cell_length_c                   4.2357(4)
_cell_measurement_reflns_used    998
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      40.05
_cell_measurement_theta_min      4.81
_cell_volume                     62.493(9)
_computing_cell_refinement       'SAINT-Plus-NT(Bruker, 1999)'
_computing_data_collection       'SMART-NT(Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus-NT(Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1031
_diffrn_reflns_theta_full        40.35
_diffrn_reflns_theta_max         40.35
_diffrn_reflns_theta_min         4.81
_exptl_absorpt_coefficient_mu    49.179
_exptl_absorpt_correction_T_max  0.086166
_exptl_absorpt_correction_T_min  0.02381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 1999)'
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    7.336
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             117
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.828
_refine_diff_density_min         -1.527
_refine_diff_density_rms         0.438
_refine_ls_extinction_coef       0.15(2)
_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   1.160
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     7
_refine_ls_number_reflns         109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0249
_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^)+(0.0381P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                109
_reflns_number_total             109
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja077669r-file003.cif
_cod_data_source_block           ygs2
_cod_database_code               4107510