Crystal structure of diytterbium pentadecanickel nonaboride, Yb~2~Ni~15~B~9~
V. Babizhetskyy; I. Veremchuk; N. Chaban; Yu. Kuz'ma; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 1–2; doi:10.1524/ncrs.2005.220.14.1

data_8102883
_publ_section_title
;
Crystal structure of diytterbium pentadecanickel nonaboride, Yb~2~Ni~15~B~9~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1
_journal_page_last               2
_journal_paper_doi               10.1524/ncrs.2005.220.14.1
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'B9 Ni15 Yb2'
_chemical_formula_weight         1324.02
_chemical_name_systematic
;
 diytterbium pentadecanickel nonaboride
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   15.925(2)
_cell_length_b                   11.590(1)
_cell_length_c                   11.232(1)
_cell_measurement_reflns_used    6606
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50.00
_cell_measurement_theta_min      5.12
_cell_volume                     2073.1(4)
_computing_cell_refinement       'IPDS package (STOE), Darmstadt, 1997)'
_computing_data_collection       'IPDS package (STOE), Darmstadt, 1997)'
_computing_data_reduction        'IPDS package (STOE), Darmstadt, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'STOE IPDS I'
_diffrn_measurement_method       '225 exposures, D omega = 0.8'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11956
_diffrn_reflns_theta_full        31.94
_diffrn_reflns_theta_max         31.94
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    44.304
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_diffrn    8.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4840
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.880
_refine_diff_density_min         -2.441
_refine_diff_density_rms         0.439
_refine_ls_extinction_coef       0.000136(10)
_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   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0191P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0544
_reflns_number_gt                1516
_reflns_number_total             1838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409806.cff
_cod_data_source_block           vbk4v_ho
_cod_original_sg_symbol_H-M      Cmca
_cod_database_code               8102883