Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)
Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.; Chemistry of Materials 27 (2015) 2488–; doi:10.1021/cm504658h

data_4002191
_publ_section_title
;
 Superconductivity in Single Crystals of Lu3T4Ge13--x(T= Co, Rh, Os) and
 Y3T4Ge13--x(T= Ir, Rh, Os)
;
_journal_issue                   7
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2488
_journal_paper_doi               10.1021/cm504658h
_journal_volume                  27
_journal_year                    2015
_chemical_formula_sum            'Ge12.53 Lu3 Os4'
_chemical_formula_weight         2195.26
_space_group_crystal_system      cubic
_space_group_IT_number           223
_space_group_name_Hall           '-P 4n 2 3'
_space_group_name_H-M_alt        'P m -3 n'
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-10-31 # Formatted by publCIF

;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9390(10)
_cell_length_b                   8.9390(10)
_cell_length_c                   8.9390(10)
_cell_measurement_reflns_used    1560
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.40
_cell_measurement_theta_min      3.22
_cell_volume                     714.28(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    CrystalMaker
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS Direct Methods (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa D8 Quest CMOS'
_diffrn_measurement_method       '\f scan'
_diffrn_radiation_monochromator  'HELIOS optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2427
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.397
_diffrn_reflns_theta_min         3.223
_diffrn_source                   'I\mS microfocus tube'
_exptl_absorpt_coefficient_mu    81.781
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.3616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2014)
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    10.207
_exptl_crystal_description       Fragment
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         7.749
_refine_diff_density_min         -5.090
_refine_diff_density_rms         0.710
_refine_ls_extinction_coef       0.0054(4)
_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   1.257
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     17
_refine_ls_number_reflns         220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.257
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0127P)^2^+76.7919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0789
_reflns_Friedel_coverage         0.000
_reflns_number_gt                209
_reflns_number_total             220
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Lu3Os4Ge13_CIF.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4002190--4002195.cif.'
_cod_original_cell_volume        714.3(2)
_cod_database_code               4002191
_publcif_datablock.id            {8b01e77d-dca6-4488-a19e-27c3c9fd1c63}
_shelxl_version_number           2014-3
_shelx_res_checksum              62869
_shelx_hkl_checksum              80470