Refinement of the crystal structure of ytterbium nickel tetraboride, YbNiB~4~
I. Veremchuk; Yu. Prots; A. Leithe-Jasper; Yu. Kuz'ma; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 125–126; doi:

data_8102895
_publ_section_title
;
Refinement of the crystal structure of ytterbium nickel tetraboride, 
YbNiB~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              125
_journal_page_last               126
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'B4 Ni Yb'
_chemical_formula_weight         274.99
_chemical_name_systematic        'ytterbium nickel tetraboride'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8645(2)
_cell_length_b                   11.3680(5)
_cell_length_c                   3.3850(2)
_cell_measurement_theta_max      30.9975
_cell_measurement_theta_min      3.4765
_cell_volume                     225.670(18)
_computing_cell_refinement       'CSD (Akselrud, 1993)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'CSD (Akselrud, 1993)'
_diffrn_ambient_temperature      295.15
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measurement_details
;
scan:
    Number of images: 400
               Slice: -30.0000 - 210.0000
         Image width: 0.6000
            Exp time: 40.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 42.4100
              2theta: -20.0000
scan:
    Number of images: 100
               Slice: -35.0000 - 25.0000
         Image width: 0.6000
            Exp time: 40.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: -90.0000
                 Phi: 85.0000
                 XTD: 42.4100
              2theta: -20.0000
;
_diffrn_measurement_device       'Rigaku AFC7'
_diffrn_radiation_detector       Mercury70
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            1780
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        30.998
_diffrn_reflns_theta_max         30.998
_diffrn_reflns_theta_min         3.4765
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    51.13
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    8.0931
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.87
_refine_diff_density_min         -2.78
_refine_ls_extinction_coef       0.0098(5)
_refine_ls_extinction_expression Fc1/[(\s(F~o~)^2^)*(1-exp(-0*sin^2^\t/\l))]
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_reflns         425
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_gt           0.025
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.026
_reflns_number_gt                375
_reflns_number_total             1780
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            409820.cff
_cod_data_source_block           iv_ybnib4
_cod_original_cell_volume        225.67(3)
_cod_original_formula_sum        'Yb1 Ni1 B4'
_cod_database_code               8102895