; Chemistry of Materials  (2002) –; doi:10.1021/cm011624m

data_4000115
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm011624m
_journal_year                    2002
_chemical_formula_sum            'Ca Eu13 Mn Sb11'
_chemical_formula_weight         3409.75
_chemical_name_common            Eu~13~CaMnSb~11~
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_atom_sites_solution_hydrogens   ?
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000(8)
_cell_angle_beta                 90.0000(8)
_cell_angle_gamma                90.0000(8)
_cell_formula_units_Z            8
_cell_length_a                   17.2235(7)
_cell_length_b                   17.2235(7)
_cell_length_c                   22.6555(9)
_cell_measurement_reflns_used    5282
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.349
_cell_measurement_theta_min      4.734
_cell_volume                     6720.7(5)
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            30806
_diffrn_reflns_theta_max         31.53
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    33.012
_exptl_absorpt_correction_T_max  0.289
_exptl_absorpt_correction_T_min  0.155
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.01 (Sheldrick, 2000)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.740
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             11400
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    ?
_refine_ls_matrix_type           full
_refine_ls_number_parameters     50
_refine_ls_number_reflns         2802
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0724P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                2371
_reflns_number_total             2802
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      'I 41/acd'
_cod_database_code               4000115