Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\ιnfty; A = Ca, Sr, Ba, Eu, or Yb)
Tae-Soo You; Paul H. Tobash; Svilen Bobev; Inorganic Chemistry 49 (2010) 1773–1783; doi:10.1021/ic902144h

data_4314842
_publ_section_title
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 Mixed Cations and Structural Complexity in (Eu1-xCax)4In3Ge4 and
 (Eu1-xCax)3In2Ge3-The First Two Members of the Homologous Series
 A2[n+m]In2n+mGe2[n+m] (n,m= 1, 2, ...\\infty; A = Ca, Sr, Ba, Eu, or Yb)
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1773
_journal_page_last               1783
_journal_paper_doi               10.1021/ic902144h
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'Ca2.48 Eu0.52 Ge3 In2'
_chemical_formula_sum            'Ca2.48 Eu0.52 Ge3 In2'
_chemical_formula_weight         625.88
_chemical_name_systematic
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 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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            4
_cell_length_a                   7.3903(18)
_cell_length_b                   4.4585(12)
_cell_length_c                   23.699(6)
_cell_measurement_reflns_used    1105
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.13
_cell_measurement_theta_min      4.65
_cell_volume                     780.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHEMXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1081
_diffrn_reflns_av_sigmaI/netI    0.0844
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            11130
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.67
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    22.831
_exptl_absorpt_correction_T_max  0.0453
_exptl_absorpt_correction_T_min  0.0235
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1105
_exptl_crystal_size_max          0.048
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.566
_refine_diff_density_min         -1.841
_refine_diff_density_rms         0.403
_refine_ls_extinction_coef       0.00044(12)
_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   0.963
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_reflns         1305
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                932
_reflns_number_total             1305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902144h_si_003_3.cif
_cod_data_source_block           Eu0.52Ca2.48In2Ge3
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
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_cod_database_code               4314842