Synthesis, Structure, and Bonding of orthorhombic R5Au2Te2 (R = Lu, Ho, Dy, Y). Electronic Structure of the Binary Parent Valence Compound Eu5As4
Ping Chai; John D. Corbett; Inorganic Chemistry 50 (2011) 10949–10955; doi:10.1021/ic201492z

data_4326683
_publ_section_title
;
 Synthesis, Structure, and Bonding of orthorhombic R5Au2Te2 (R = Lu, Ho,
 Dy, Y). Electronic Structure of the Binary Parent Valence Compound Eu5As4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10949
_journal_page_last               10955
_journal_paper_doi               10.1021/ic201492z
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'Au2 Lu5 Te2'
_chemical_formula_weight         1523.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_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            4
_cell_length_a                   15.056(2)
_cell_length_b                   7.7491(11)
_cell_length_c                   7.7547(11)
_cell_measurement_reflns_used    1373
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      2.71
_cell_volume                     904.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3261
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    92.546
_exptl_absorpt_correction_T_max  0.0720
_exptl_absorpt_correction_T_min  0.0238
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    11.189
_exptl_crystal_density_meas      11.189
_exptl_crystal_F_000             2468
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.815
_refine_diff_density_min         -1.923
_refine_diff_density_rms         0.482
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_matrix_type           full
_refine_ls_number_parameters     25
_refine_ls_number_reflns         468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0224
_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^)+(0.0241P)^2^+13.4179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0540
_reflns_number_gt                445
_reflns_number_total             468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201492z_si_002.cif
_cod_data_source_block           Lu5Au2Te2
_cod_database_code               4326683