Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds.
Maurya, Arvind; Thamizhavel, Arumugam; Provino, Alessia; Pani, Marcella; Manfrinetti, Pietro; Paudyal, Durga; Dhar, Sudesh Kumar; Inorganic chemistry 53 (2014) 1443–1448; doi:10.1021/ic402363s

data_4337313
_publ_section_title
;
 Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic
 EuTAl4Si2 (T = Rh and Ir) Compounds.
;
_publ_section_keywords
;
EuIrAl~4~Si~2,~ EuRhAl~4~Si~2,~ Quaternary compounds
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1443
_journal_page_last               1448
_journal_paper_doi               10.1021/ic402363s
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Al4 Eu Ir Si2'
_chemical_formula_weight         508.26
_chemical_name_systematic
;
europium iridium tetraluminum disilicide EuIrAl4Si2
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_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                90.00
_cell_formula_units_Z            1
_cell_length_a                   4.1940(10)
_cell_length_b                   4.1940(10)
_cell_length_c                   8.269(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      25.8
_cell_volume                     145.45(6)
_computing_cell_refinement       'MACH3 software'
_computing_data_collection       'MACH3 software'
_computing_data_reduction        'local software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker-Nonius MACH3'
_diffrn_measurement_method       '\w/\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2042
_diffrn_reflns_theta_full        31.87
_diffrn_reflns_theta_max         31.87
_diffrn_reflns_theta_min         2.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  180
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    34.401
_exptl_absorpt_correction_T_max  0.1956
_exptl_absorpt_correction_T_min  0.0664
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews)'
_exptl_crystal_colour            grey
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_density_diffrn    5.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             220
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.060
_refine_diff_density_min         -1.433
_refine_diff_density_rms         0.216
_refine_ls_extinction_coef       0.088(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   1.195
_refine_ls_matrix_type           full
_refine_ls_number_parameters     13
_refine_ls_number_reflns         193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0144
_refine_ls_R_factor_gt           0.0140
_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^)+(0.0146P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0391
_refine_ls_wR_factor_ref         0.0391
_reflns_number_gt                181
_reflns_number_total             193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402363s_si_001.cif
_cod_data_source_block           EuIrAl4Si2
_cod_original_formula_sum        'Al4 Eu1 Ir1 Si2'
_cod_database_code               4337313