Crystal structure of Ga0.62(3)Sb0.38(3)Pd3
Matselko, Oksana; Burkhardt, Ulrich; Gladyshevskii, Roman; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 233 (2018) 87–88; doi:10.1515/ncrs-2017-0179

data_8106054
_publ_section_title
;
 Crystal structure of Ga0.62(3)Sb0.38(3)Pd3
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              87
_journal_page_last               88
_journal_paper_doi               10.1515/ncrs-2017-0179
_journal_volume                  233
_journal_year                    2018
_chemical_formula_moiety         'Ga2.48 Pd12 Sb1.52'
_chemical_formula_sum            'Ga2.48 Pd12 Sb1.52'
_chemical_formula_weight         1634.78
_chemical_name_systematic
;
gallium antimony palladide (0.62(3) / 0.38(3) / 3)
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           127
_space_group_name_Hall           '-P 4 2ab'
_space_group_name_H-M_alt        'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.5036(2)
_cell_length_b                   5.5036(2)
_cell_length_c                   7.9990(3)
_cell_measurement_temperature    295
_cell_measurement_theta_max      50.15
_cell_measurement_theta_min      10.5
_cell_volume                     242.287(15)
_computing_molecular_graphics    'Diamond 3.2k [7]'
_computing_publication_material  'WinCSD [6]'
_computing_structure_refinement  'WinCSD [6]'
_diffrn_ambient_temperature      295
_diffrn_detector                 'imaging plate'
_diffrn_detector_type            'Huber Guinier G670'
_diffrn_measurement_device_type  'Huber Guinier G670'
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30
_diffrn_source_size              '8mm x 0.4mm fine focus'
_diffrn_source_target            Cu
_diffrn_source_type              'Bruker K760'
_diffrn_source_voltage           40
_exptl_absorpt_coefficient_mu    214.632
_exptl_crystal_density_diffrn    11.204
_exptl_crystal_F_000             706.2
_pd_calib_2theta_offset          0.0
_pd_char_colour                  grey
_pd_instr_location
;
Lab B2.2.14, Guinier-test
;
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        100.3
_pd_meas_2theta_range_min        21
_pd_meas_info_author_name        SH
_pd_meas_number_of_points        15861
_pd_meas_scan_method             fixed
_pd_meas_step_count_time         5400
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        100.3
_pd_proc_2theta_range_min        8
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0168
_pd_proc_ls_prof_wR_expected     0.0208
_pd_proc_ls_prof_wR_factor       0.0291
_refine_diff_density_max         2.26475
_refine_diff_density_min         -1.83993
_refine_ls_goodness_of_fit_all   1.01
_refine_ls_number_parameters     22
_refine_ls_R_I_factor            0.0286
_refine_ls_shift/su_max          0.02
_refine_ls_weighting_details     1/[Y~i~+\s(Y~i~)]
_refine_ls_weighting_scheme      unit
_cod_data_source_file            suppl_ncrs-2017-0179_suppl.cif
_cod_data_source_block           2
_cod_original_cell_volume        242.29(3)
_cod_database_code               8106054