Crystal structure of Ga0.47(1)Sb0.53(1)Pd2
Matselko, Oksana; Burkhardt, Ulrich; Grin, Yuri; Gladyshevskii, Roman; Zeitschrift für Kristallographie - New Crystal Structures 233 (2018) 89–90; doi:10.1515/ncrs-2017-0180

data_8106055
_publ_section_title
;
 Crystal structure of Ga0.47(1)Sb0.53(1)Pd2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              89
_journal_page_last               90
_journal_paper_doi               10.1515/ncrs-2017-0180
_journal_volume                  233
_journal_year                    2018
_chemical_formula_moiety         'Ga1.42 Pd6 Sb1.58'
_chemical_formula_sum            'Ga1.42 Pd6 Sb1.58'
_chemical_formula_weight         929.78
_chemical_name_systematic
;
gallium antimony palladide (0.47(1) / 0.53(1) / 2)
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           189
_space_group_name_Hall           'P -6 -2'
_space_group_name_H-M_alt        'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.0374(3)
_cell_length_b                   7.0374(3)
_cell_length_c                   3.3194(2)
_cell_measurement_temperature    295
_cell_measurement_theta_max      50.15
_cell_measurement_theta_min      12.0
_cell_volume                     142.369(12)
_computing_molecular_graphics    'Diamond 3.2k [8]'
_computing_publication_material  'WinCSD [7]'
_computing_structure_refinement  'WinCSD [7]'
_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           CuK\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    213.781
_exptl_crystal_density_diffrn    10.845
_exptl_crystal_F_000             400.6
_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        24
_pd_meas_info_author_name        SH
_pd_meas_number_of_points        15261
_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        24
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0269
_pd_proc_ls_prof_wR_expected     0.0196
_pd_proc_ls_prof_wR_factor       0.0418
_refine_diff_density_max         2.42225
_refine_diff_density_min         -1.51881
_refine_ls_goodness_of_fit_all   1.01
_refine_ls_number_parameters     20
_refine_ls_R_I_factor            0.0372
_refine_ls_shift/su_max          0.027
_refine_ls_weighting_details     1/[Y~i~+\s(Y~i~)]
_refine_ls_weighting_scheme      unit
_cod_data_source_file            suppl_ncrs-2017-0180_suppl.cif
_cod_data_source_block           2
_cod_original_cell_volume        142.37(2)
_cod_database_code               8106055