Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides
Leonid Salamakha; Ernst Bauer; Gerfried Hilscher; Herwig Michor; Oksana Sologub; Peter Rogl; Gerald Giester; Inorganic Chemistry 52 (2013) 4185–4197; doi:10.1021/ic301548w

data_4334421
_publ_section_title
;
 Structural and Physical Properties Diversity of New CaCu5-Type Related
 Europium Platinum Borides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4185
_journal_page_last               4197
_journal_paper_doi               10.1021/ic301548w
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'B6 Eu5 Pt18'
_chemical_formula_weight         4336.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2012-07-01T19:46:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5813(3)
_cell_length_b                   9.5476(5)
_cell_length_c                   35.1578(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      8
_cell_volume                     1873.49(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            1375
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    150.188
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    15.374
_exptl_crystal_description       prism
_exptl_crystal_F_000             6996
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.713
_refine_diff_density_min         -3.779
_refine_diff_density_rms         0.801
_refine_ls_extinction_coef       0.00040(3)
_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   1.073
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     52
_refine_ls_number_reflns         796
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+432.6634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                619
_reflns_number_total             796
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301548w_si_003.cif
_cod_data_source_block           euptb23
_cod_original_sg_symbol_Hall     '-F 2 2 '
_cod_database_code               4334421