Tb4FeGe8 Grown in Liquid Gallium: Trans-Cis Chains from the Distortion of a Planar Ge Square Net
Marina A. Zhuravleva; Daniel Bilc; Robert J. Pcionek; S. D. Mahanti; Mercouri G. Kanatzidis; Inorganic Chemistry 44 (2005) 2177–2188; doi:10.1021/ic0487878

data_4309009
_publ_section_title
;
Tb4FeGe8 Grown in Liquid Gallium: Trans-Cis Chains from the Distortion
of a Planar Ge Square Net
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2177
_journal_page_last               2188
_journal_paper_doi               10.1021/ic0487878
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Fe Ge8 Tb4'
_chemical_formula_weight         1272.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   4.1118(14)
_cell_length_b                   15.844(5)
_cell_length_c                   3.9885(13)
_cell_measurement_temperature    298(2)
_cell_volume                     259.84(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.854
_diffrn_measured_fraction_theta_max 0.854
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_max       3
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            502
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    50.850
_exptl_crystal_density_diffrn    8.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             542
_refine_diff_density_max         2.953
_refine_diff_density_min         -2.171
_refine_diff_density_rms         0.646
_refine_ls_extinction_coef       0.0096(14)
_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   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     18
_refine_ls_number_reflns         181
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.450
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0727P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0898
_reflns_number_gt                174
_reflns_number_total             181
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0487878si20040831_034725.cif
_cod_data_source_block           s
_cod_database_code               4309009