Eu10Mn6Sb13: A New Ternary Rare-Earth Transition-Metal Zintl Phase
Aaron P. Holm; Seon-Mi Park; Cathie L. Condron; Marilyn M. Olmstead; Hyungrak Kim; Peter Klavins; Fernande Grandjean; Raphaël P. Hermann; Gary J. Long; Mercouri G. Kanatzidis; Susan M. Kauzlarich; Sung-Jin Kim; Inorganic Chemistry 42 (2003) 4660–4667; doi:10.1021/ic034054w

data_4313906
_publ_section_title
;
 Eu10Mn6Sb13: A New Ternary Rare-Earth Transition-Metal Zintl Phase
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4660
_journal_page_last               4667
_journal_paper_doi               10.1021/ic034054w
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Eu10 Mn6 Sb13'
_chemical_formula_weight         3431.99
_chemical_name_common            Eu10Mn6Sb13
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.0780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1791(6)
_cell_length_b                   19.1919(7)
_cell_length_c                   12.2679(4)
_cell_measurement_reflns_used    4924
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      3.49
_cell_volume                     3397.4(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Balls & Sticks ver 1.35'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.851
_diffrn_measured_fraction_theta_max 0.851
_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  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17443
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        <0.1
_diffrn_standards_number         '50 frames remeasured'
_exptl_absorpt_coefficient_mu    30.397
_exptl_absorpt_correction_T_max  0.4765
_exptl_absorpt_correction_T_min  0.2055
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XPREP v. 6.12 (Sheldrick, 2002)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.710
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5772
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.009
_exptl_crystal_size_min          0.007
_refine_diff_density_max         7.835
_refine_diff_density_min         -3.024
_refine_diff_density_rms         0.534
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         3715
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0410
_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^)+(0.0553P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1032
_reflns_number_gt                2603
_reflns_number_total             3715
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034054wsi20030506_111529.cif
_cod_data_source_block           c2mnew
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4313906