Ternary Lanthanoid Ruthenium Gallides with a High Gallium Content: Ln2Ru3Ga10 (Ln = Yb, Lu) with a New Structure Type and LnRu2Ga8 (Ln = La-Nd) with CaCo2Al8-type Structure
Martin Schlüter; Wolfgang Jeitschko; Inorganic Chemistry 40 (2001) 6362–6368; doi:10.1021/ic010629i

data_4320662
_publ_section_title
;
 Ternary Lanthanoid Ruthenium Gallides with a High Gallium Content:
 Ln2Ru3Ga10 (Ln = Yb, Lu) with a New Structure Type and LnRu2Ga8 (Ln =
 La-Nd) with CaCo2Al8-type Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6362
_journal_page_last               6368
_journal_paper_doi               10.1021/ic010629i
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ga8 Nd Ru1.86'
_chemical_formula_weight         889.79
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a 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            4
_cell_length_a                   12.591(3)
_cell_length_b                   14.708(3)
_cell_length_c                   4.0720(10)
_cell_measurement_temperature    293(2)
_cell_volume                     754.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            8197
_diffrn_reflns_theta_full        29.95
_diffrn_reflns_theta_max         29.95
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    38.331
_exptl_crystal_density_diffrn    7.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1559
_refine_diff_density_max         2.435
_refine_diff_density_min         -2.667
_refine_diff_density_rms         0.416
_refine_ls_extinction_coef       0.00022(6)
_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   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     71
_refine_ls_number_reflns         1244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0208
_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^)+(0.0210P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0428
_refine_ls_wR_factor_ref         0.0547
_reflns_number_gt                844
_reflns_number_total             1244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010629i_2.cif
_cod_data_source_block           55
_cod_database_code               4320662