Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm): An Ordered Quaternary Variation on the Binary Phase Mg5Si6
Salvador, James R.; Kanatzidis, Mercouri G.; Inorganic Chemistry 45 (2006) 7091–7099; doi:10.1021/ic0605017

data_4332549
_publ_section_title
;
 Indium Flux Synthesis of RE4Ni2InGe4(RE = Dy, Ho, Er, and Tm):&#x00A0; An
 Ordered Quaternary Variation on the Binary Phase Mg5Si6
;
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7091
_journal_page_last               7099
_journal_paper_doi               10.1021/ic0605017
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Ge4 Ho4 In Ni2'
_chemical_formula_weight         1182.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 108.600(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.373(4)
_cell_length_b                   4.2101(9)
_cell_length_c                   6.9935(15)
_cell_measurement_temperature    293(2)
_cell_volume                     428.99(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1779
_diffrn_reflns_theta_full        28.13
_diffrn_reflns_theta_max         28.13
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    57.013
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    9.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.778
_refine_diff_density_min         -2.507
_refine_diff_density_rms         0.525
_refine_ls_extinction_coef       0.00124(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   1.242
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_number_reflns         549
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.242
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0281
_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^)+(0.0241P)^2^+19.3135P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0679
_reflns_number_gt                525
_reflns_number_total             549
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0605017sup3.cif
_cod_data_source_block           honige2c
_cod_original_cell_volume        428.99(16)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4332549