Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with Quasi 1D {Fe~2~Se~10~} Ladders
Pierre F. P. Poudeu; Nathan Takas; Clarence Anglin; James Eastwood; Arianna Rivera; Journal of the American Chemical Society 132 (2010) 5751–5760; doi:10.1021/ja910545e

data_4102357
_publ_contact_author_address
;
The Advanced Materials Research Institute,
and Department of Chemistry
University of New Orleans,
New Orleans,
LA 70148, USA 
;
_publ_contact_author_email       ppoudeup@uno.edu
_publ_contact_author_name        'Dr. Pierre Ferdinand Poudeu Poudeu'
_publ_section_title
;
 Fe~x~Pb~4-x~Sb~4~Se~10~: A New Class of Ferromagnetic Semiconductors with
 Quasi 1D {Fe~2~Se~10~} Ladders
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5751
_journal_page_last               5760
_journal_paper_doi               10.1021/ja910545e
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'Fe0.96 Pb3.04 Sb4 Se10'
_chemical_formula_weight         1959.70
_chemical_name_systematic
; 
Iron Lead Antinony Selenide (0.96/3.04/4/10) 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'manual editing of SHELXL-97 cif-file'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6918(9)
_cell_length_b                   4.1153(2)
_cell_length_c                   24.3607(11)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      3.21
_cell_volume                     1974.13(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Smart CCD (Bruker)'
_diffrn_measurement_method       'incremental phi oscillation 0.3 degree'
_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  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22263
_diffrn_reflns_theta_full        28.09
_diffrn_reflns_theta_max         28.09
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    50.293
_exptl_absorpt_correction_T_max  0.366
_exptl_absorpt_correction_T_min  0.061
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3272
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.676
_refine_diff_density_min         -1.819
_refine_diff_density_rms         0.405
_refine_ls_extinction_coef       0.00016(1)
_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   1.220
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         22263
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0282
_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^)+(0.0397P)^2^+31.2269P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                5425
_reflns_number_total             5425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja910545e_si_002.cif
_cod_data_source_block           Fe0.96Pb3.04Sb4Se10
_cod_database_code               4102357