Single and Double-Doping Effects on the Thermoelectric Properties of Two Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86
Choi, Woongjin; Lee, Junsu; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo; Dalton Trans.  (2017) –; doi:10.1039/C7DT02410J

data_7043968
_publ_section_title
;
 Single and Double-Doping Effects on the Thermoelectric Properties of Two
 Zintl Compounds: Eu11Bi8.07(2)Sn1.93 and Eu10.74(2)K0.26Bi9.14(2)Sn0.86
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02410J
_journal_year                    2017
_chemical_formula_moiety         'Eu10.74 K0.26 Bi9.14 Sn0.86'
_chemical_formula_sum            'Bi9.14 Eu10.74 K0.26 Sn0.86'
_chemical_formula_weight         3654.14
_chemical_name_systematic        Eu10.74K0.26Bi9.14Sn0.86
_chemical_properties_physical    ', Air-sensitive,Oxygen-sensitive'
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-07-03 deposited with the CCDC.
2017-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5414(3)
_cell_length_b                   12.5414(3)
_cell_length_c                   18.1027(5)
_cell_measurement_reflns_used    1189
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      1.98
_cell_volume                     2847.31(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0995
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18801
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.590
_diffrn_reflns_theta_min         1.975
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    80.239
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.3240
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    8.524
_exptl_crystal_density_meas      8.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5932
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.965
_refine_diff_density_min         -4.977
_refine_diff_density_rms         0.453
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         1189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+159.1530P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0545
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1026
_reflns_number_total             1189
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02410j2.cif
_cod_data_source_block           N0588A_0m
_cod_original_cell_volume        2847.31(16)
_cod_database_code               7043968
_shelxl_version_number           2013-3
_shelx_res_checksum              72133