CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.
Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz; Inorganic chemistry 54 (2015) 3439–3445; doi:10.1021/ic503110c

data_1518873
_publ_section_title
;
 CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of
 CaBe2Ge2- and CsCl-type Units.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3439
_journal_page_last               3445
_journal_paper_doi               10.1021/ic503110c
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Al2.96 Ce Pd3.04'
_chemical_formula_weight         543.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.3045(7)
_cell_length_b                   4.3045(7)
_cell_length_c                   13.4426(18)
_cell_measurement_reflns_used    130
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      54.94
_cell_measurement_theta_min      3.29
_cell_volume                     249.07(7)
_computing_cell_refinement       'MRIA (Zlokazov & Chernyshev, 1992)'
_computing_data_collection       '<i>DataCollector</i> (PANalytical, 2010)'
_computing_data_reduction        <i>DataCollector</i>
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'MRIA, SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'simulated annealing (Zhukov et al., 2001)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_type            Xcelerator
_diffrn_measurement_device       'EMPYREAN (PANanalytical)'
_diffrn_radiation_monochromator  'Curved Germanium (111)'
_diffrn_radiation_source         'line-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'Fine focus X-ray tube'
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    160.016
_exptl_crystal_density_diffrn    7.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             473
_pd_block_diffractogram_id       5
_pd_char_colour                  white
_pd_char_particle_morphology     plate
_pd_instr_location
;
 A. N. Frumkin Institute of Physical Chemistry and Electrochemistry RAS,
 Leninsky prospect, 31,
 Moscow 119071, 
 Russian Federation
;
_pd_meas_2theta_range_inc        0.017
_pd_meas_2theta_range_max        109.987
_pd_meas_2theta_range_min        3.992
_pd_meas_number_of_points        6236
_pd_meas_scan_method             cont
_pd_prep_pressure                101
_pd_proc_2theta_range_inc        0.017
_pd_proc_2theta_range_max        109.987
_pd_proc_2theta_range_min        3.992
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'Chebyshev polynomial up to the 5th order'
_pd_proc_ls_profile_function     'split-type pseudo-Voigt (Toraya, 1986)'
_pd_proc_ls_prof_R_factor        0.0297
_pd_proc_ls_prof_wR_expected     0.0276
_pd_proc_ls_prof_wR_factor       0.0393
_pd_proc_wavelength              1.5418
_pd_spec_mounting
; 
thin layer on the non-diffracting silicon plate
;
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              15
_pd_spec_size_equat              1
_pd_spec_size_thick              1
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.65
_refine_diff_density_rms         0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.398
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     44
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            0.0829
_refine_ls_shift/su_max          .003
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic503110c_si_001.cif
_cod_data_source_block           CePd3Al3
_cod_depositor_comments
'Adding full bibliography for 1518872--1518874.cif.'
_cod_original_sg_symbol_H-M      P4/nmm
_cod_database_code               1518873