# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_usr081m
_database_code_depnum_ccdc_archive 'CCDC 989027'
_audit_update_record             
;
2014-02-27 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge3 In0.25 Ni Yb1.75'
_chemical_formula_weight         608.00

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   P4/m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'

_cell_length_a                   10.3120(2)
_cell_length_b                   10.3120(2)
_cell_length_c                   4.15860(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     442.214(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1551
_cell_measurement_theta_min      1.97
_cell_measurement_theta_max      25

_exptl_crystal_description       block
_exptl_crystal_colour            grey
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    9.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1035
_exptl_absorpt_coefficient_mu    61.999
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.1471
_exptl_absorpt_correction_T_max  0.5753
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            1551
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_theta_min         1.97
_diffrn_reflns_theta_max         25.00
_reflns_number_total             389
_reflns_number_gt                381
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'SMART APEX II (Bruker,2010)'
_computing_cell_refinement       'SMART APEX II'
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3v2 for windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2008)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0626P)²+21.9984P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0107(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         389
_refine_ls_number_parameters     40
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1127
_refine_ls_wR_factor_gt          0.1088
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_restrained_S_all      1.167
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.32737(10) 0.32564(9) 0.5000 0.0065(5) Uani 1 2 d S . .
Yb2 Yb 0.0000 0.0000 0.0000 0.0065(6) Uani 1 8 d S . .
Yb3 Yb 0.0000 0.5000 0.5000 0.0081(6) Uani 1 4 d S . .
Ge1 Ge 0.2180(2) 0.4903(2) 0.0000 0.0068(7) Uani 1 2 d S . .
Ge2 Ge 0.2878(3) 0.1134(3) 0.0000 0.0204(8) Uani 1 2 d S . .
Ge3 Ge 0.0673(3) 0.1929(3) 0.5000 0.0181(8) Uani 1 2 d S . .
Ni Ni 0.1194(3) 0.2800(3) 0.0000 0.0067(8) Uani 1 2 d S . .
In In 0.5000 0.5000 0.0000 0.0100(9) Uani 1 8 d S . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 Ge1 2.9117(18) 1_556 ?
Yb1 Ge1 2.9117(18) . ?
Yb1 Ge3 3.011(3) . ?
Yb1 Ge1 3.0155(19) 3_656 ?
Yb1 Ge1 3.0155(19) 3_655 ?
Yb1 Ni 3.024(2) . ?
Yb1 Ni 3.024(2) 1_556 ?
Yb1 Ge2 3.047(2) . ?
Yb1 Ge2 3.047(2) 1_556 ?
Yb1 In 3.2749(8) 1_556 ?
Yb1 In 3.2749(8) . ?
Yb1 Yb1 3.5782(14) 3_655 ?
Yb2 Ge3 2.960(2) 5 ?
Yb2 Ge3 2.960(2) . ?
Yb2 Ge3 2.960(2) 3_554 ?
Yb2 Ge3 2.960(2) 7_556 ?
Yb2 Ge3 2.960(2) 3 ?
Yb2 Ge3 2.960(2) 5_556 ?
Yb2 Ge3 2.960(2) 7 ?
Yb2 Ge3 2.960(2) 1_554 ?
Yb2 Ni 3.139(3) . ?
Yb2 Ni 3.139(3) 5 ?
Yb2 Ni 3.139(3) 7 ?
Yb2 Ni 3.139(3) 3 ?
Yb3 Ge1 3.0636(18) 5_565 ?
Yb3 Ge1 3.0636(18) 1_556 ?
Yb3 Ge1 3.0636(18) 5_566 ?
Yb3 Ge1 3.0636(18) . ?
Yb3 Ge2 3.237(2) 7_566 ?
Yb3 Ge2 3.237(2) 3 ?
Yb3 Ge2 3.237(2) 7_565 ?
Yb3 Ge2 3.237(2) 3_556 ?
Yb3 Ge3 3.242(3) . ?
Yb3 Ge3 3.242(3) 5_566 ?
Yb3 Ni 3.315(2) 5_566 ?
Yb3 Ni 3.315(2) . ?
Ge1 Ni 2.395(4) . ?
Ge1 Ge2 2.530(4) 7_565 ?
Ge1 In 2.910(2) . ?
Ge1 Yb1 2.9117(18) 1_554 ?
Ge1 Yb1 3.0155(19) 7_566 ?
Ge1 Yb1 3.0155(19) 7_565 ?
Ge1 Yb3 3.0636(18) 1_554 ?
Ge2 Ni 2.402(4) 7 ?
Ge2 Ni 2.443(4) . ?
Ge2 Ge1 2.530(4) 3_655 ?
Ge2 Yb1 3.047(2) 1_554 ?
Ge2 Yb3 3.237(2) 3_655 ?
Ge2 Yb3 3.237(2) 3_654 ?
Ge3 Ni 2.3276(19) 1_556 ?
Ge3 Ni 2.3276(19) . ?
Ge3 Yb2 2.960(2) 1_556 ?
Ni Ge3 2.3276(19) 1_554 ?
Ni Ge2 2.402(4) 3 ?
Ni Yb1 3.024(2) 1_554 ?
Ni Yb3 3.315(2) 1_554 ?
In Ge1 2.910(2) 3_655 ?
In Ge1 2.910(2) 5_665 ?
In Ge1 2.910(2) 7_565 ?
In Yb1 3.2749(8) 1_554 ?
In Yb1 3.2749(8) 5_666 ?
In Yb1 3.2749(8) 3_654 ?
In Yb1 3.2749(8) 3_655 ?
In Yb1 3.2749(8) 7_566 ?
In Yb1 3.2749(8) 7_565 ?
In Yb1 3.2749(8) 5_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ge1 Yb1 Ge1 91.14(7) 1_556 . ?
Ge1 Yb1 Ge3 85.41(7) 1_556 . ?
Ge1 Yb1 Ge3 85.41(7) . . ?
Ge1 Yb1 Ge1 87.93(6) 1_556 3_656 ?
Ge1 Yb1 Ge1 161.57(8) . 3_656 ?
Ge3 Yb1 Ge1 112.84(6) . 3_656 ?
Ge1 Yb1 Ge1 161.57(8) 1_556 3_655 ?
Ge1 Yb1 Ge1 87.93(6) . 3_655 ?
Ge3 Yb1 Ge1 112.84(6) . 3_655 ?
Ge1 Yb1 Ge1 87.19(7) 3_656 3_655 ?
Ge1 Yb1 Ni 107.88(7) 1_556 . ?
Ge1 Yb1 Ni 47.54(7) . . ?
Ge3 Yb1 Ni 45.37(5) . . ?
Ge1 Yb1 Ni 149.22(8) 3_656 . ?
Ge1 Yb1 Ni 84.89(6) 3_655 . ?
Ge1 Yb1 Ni 47.54(7) 1_556 1_556 ?
Ge1 Yb1 Ni 107.88(7) . 1_556 ?
Ge3 Yb1 Ni 45.37(5) . 1_556 ?
Ge1 Yb1 Ni 84.89(6) 3_656 1_556 ?
Ge1 Yb1 Ni 149.22(8) 3_655 1_556 ?
Ni Yb1 Ni 86.88(8) . 1_556 ?
Ge1 Yb1 Ge2 148.69(8) 1_556 . ?
Ge1 Yb1 Ge2 83.08(6) . . ?
Ge3 Yb1 Ge2 63.51(7) . . ?
Ge1 Yb1 Ge2 106.84(7) 3_656 . ?
Ge1 Yb1 Ge2 49.34(7) 3_655 . ?
Ni Yb1 Ge2 47.45(8) . . ?
Ni Yb1 Ge2 105.21(7) 1_556 . ?
Ge1 Yb1 Ge2 83.08(6) 1_556 1_556 ?
Ge1 Yb1 Ge2 148.69(8) . 1_556 ?
Ge3 Yb1 Ge2 63.51(7) . 1_556 ?
Ge1 Yb1 Ge2 49.34(7) 3_656 1_556 ?
Ge1 Yb1 Ge2 106.84(7) 3_655 1_556 ?
Ni Yb1 Ge2 105.21(7) . 1_556 ?
Ni Yb1 Ge2 47.45(8) 1_556 1_556 ?
Ge2 Yb1 Ge2 86.08(8) . 1_556 ?
Ge1 Yb1 In 55.74(5) 1_556 1_556 ?
Ge1 Yb1 In 110.12(5) . 1_556 ?
Ge3 Yb1 In 137.20(3) . 1_556 ?
Ge1 Yb1 In 54.92(5) 3_656 1_556 ?
Ge1 Yb1 In 107.51(5) 3_655 1_556 ?
Ni Yb1 In 155.17(7) . 1_556 ?
Ni Yb1 In 91.97(4) 1_556 1_556 ?
Ge2 Yb1 In 154.25(7) . 1_556 ?
Ge2 Yb1 In 91.95(4) 1_556 1_556 ?
Ge1 Yb1 In 110.12(5) 1_556 . ?
Ge1 Yb1 In 55.74(5) . . ?
Ge3 Yb1 In 137.20(3) . . ?
Ge1 Yb1 In 107.51(5) 3_656 . ?
Ge1 Yb1 In 54.92(5) 3_655 . ?
Ni Yb1 In 91.97(4) . . ?
Ni Yb1 In 155.17(7) 1_556 . ?
Ge2 Yb1 In 91.95(4) . . ?
Ge2 Yb1 In 154.25(7) 1_556 . ?
In Yb1 In 78.83(2) 1_556 . ?
Ge1 Yb1 Yb1 112.62(5) 1_556 3_655 ?
Ge1 Yb1 Yb1 112.62(5) . 3_655 ?
Ge3 Yb1 Yb1 153.25(7) . 3_655 ?
Ge1 Yb1 Yb1 51.55(5) 3_656 3_655 ?
Ge1 Yb1 Yb1 51.55(5) 3_655 3_655 ?
Ni Yb1 Yb1 135.23(5) . 3_655 ?
Ni Yb1 Yb1 135.23(5) 1_556 3_655 ?
Ge2 Yb1 Yb1 97.91(6) . 3_655 ?
Ge2 Yb1 Yb1 97.91(6) 1_556 3_655 ?
In Yb1 Yb1 56.886(6) 1_556 3_655 ?
In Yb1 Yb1 56.886(6) . 3_655 ?
Ge3 Yb2 Ge3 180.00(9) 5 . ?
Ge3 Yb2 Ge3 60.44(5) 5 3_554 ?
Ge3 Yb2 Ge3 119.56(5) . 3_554 ?
Ge3 Yb2 Ge3 119.56(5) 5 7_556 ?
Ge3 Yb2 Ge3 60.44(5) . 7_556 ?
Ge3 Yb2 Ge3 180.00(13) 3_554 7_556 ?
Ge3 Yb2 Ge3 119.56(5) 5 3 ?
Ge3 Yb2 Ge3 60.44(5) . 3 ?
Ge3 Yb2 Ge3 89.24(8) 3_554 3 ?
Ge3 Yb2 Ge3 90.76(8) 7_556 3 ?
Ge3 Yb2 Ge3 89.24(8) 5 5_556 ?
Ge3 Yb2 Ge3 90.76(8) . 5_556 ?
Ge3 Yb2 Ge3 119.56(5) 3_554 5_556 ?
Ge3 Yb2 Ge3 60.44(5) 7_556 5_556 ?
Ge3 Yb2 Ge3 60.44(5) 3 5_556 ?
Ge3 Yb2 Ge3 60.44(5) 5 7 ?
Ge3 Yb2 Ge3 119.56(5) . 7 ?
Ge3 Yb2 Ge3 90.76(8) 3_554 7 ?
Ge3 Yb2 Ge3 89.24(8) 7_556 7 ?
Ge3 Yb2 Ge3 180.00(9) 3 7 ?
Ge3 Yb2 Ge3 119.56(5) 5_556 7 ?
Ge3 Yb2 Ge3 90.76(8) 5 1_554 ?
Ge3 Yb2 Ge3 89.24(8) . 1_554 ?
Ge3 Yb2 Ge3 60.44(5) 3_554 1_554 ?
Ge3 Yb2 Ge3 119.56(5) 7_556 1_554 ?
Ge3 Yb2 Ge3 119.56(5) 3 1_554 ?
Ge3 Yb2 Ge3 180.00(13) 5_556 1_554 ?
Ge3 Yb2 Ge3 60.44(5) 7 1_554 ?
Ge3 Yb2 Ni 135.25(4) 5 . ?
Ge3 Yb2 Ni 44.75(4) . . ?
Ge3 Yb2 Ni 92.75(8) 3_554 . ?
Ge3 Yb2 Ni 87.25(8) 7_556 . ?
Ge3 Yb2 Ni 92.75(8) 3 . ?
Ge3 Yb2 Ni 135.25(4) 5_556 . ?
Ge3 Yb2 Ni 87.25(8) 7 . ?
Ge3 Yb2 Ni 44.75(4) 1_554 . ?
Ge3 Yb2 Ni 44.75(4) 5 5 ?
Ge3 Yb2 Ni 135.25(4) . 5 ?
Ge3 Yb2 Ni 87.25(8) 3_554 5 ?
Ge3 Yb2 Ni 92.75(8) 7_556 5 ?
Ge3 Yb2 Ni 87.25(8) 3 5 ?
Ge3 Yb2 Ni 44.75(4) 5_556 5 ?
Ge3 Yb2 Ni 92.75(8) 7 5 ?
Ge3 Yb2 Ni 135.25(4) 1_554 5 ?
Ni Yb2 Ni 180.00(4) . 5 ?
Ge3 Yb2 Ni 87.25(8) 5 7 ?
Ge3 Yb2 Ni 92.75(8) . 7 ?
Ge3 Yb2 Ni 135.25(4) 3_554 7 ?
Ge3 Yb2 Ni 44.75(4) 7_556 7 ?
Ge3 Yb2 Ni 135.25(4) 3 7 ?
Ge3 Yb2 Ni 87.25(8) 5_556 7 ?
Ge3 Yb2 Ni 44.75(4) 7 7 ?
Ge3 Yb2 Ni 92.75(8) 1_554 7 ?
Ni Yb2 Ni 90.0 . 7 ?
Ni Yb2 Ni 90.0 5 7 ?
Ge3 Yb2 Ni 92.75(8) 5 3 ?
Ge3 Yb2 Ni 87.25(8) . 3 ?
Ge3 Yb2 Ni 44.75(4) 3_554 3 ?
Ge3 Yb2 Ni 135.25(4) 7_556 3 ?
Ge3 Yb2 Ni 44.75(4) 3 3 ?
Ge3 Yb2 Ni 92.75(8) 5_556 3 ?
Ge3 Yb2 Ni 135.25(4) 7 3 ?
Ge3 Yb2 Ni 87.25(8) 1_554 3 ?
Ni Yb2 Ni 90.0 . 3 ?
Ni Yb2 Ni 90.0 5 3 ?
Ni Yb2 Ni 180.00(11) 7 3 ?
Ge1 Yb3 Ge1 180.00(9) 5_565 1_556 ?
Ge1 Yb3 Ge1 85.49(6) 5_565 5_566 ?
Ge1 Yb3 Ge1 94.51(6) 1_556 5_566 ?
Ge1 Yb3 Ge1 94.51(6) 5_565 . ?
Ge1 Yb3 Ge1 85.49(6) 1_556 . ?
Ge1 Yb3 Ge1 180.0 5_566 . ?
Ge1 Yb3 Ge2 132.74(7) 5_565 7_566 ?
Ge1 Yb3 Ge2 47.26(7) 1_556 7_566 ?
Ge1 Yb3 Ge2 78.86(6) 5_566 7_566 ?
Ge1 Yb3 Ge2 101.14(6) . 7_566 ?
Ge1 Yb3 Ge2 47.26(7) 5_565 3 ?
Ge1 Yb3 Ge2 132.74(7) 1_556 3 ?
Ge1 Yb3 Ge2 101.14(6) 5_566 3 ?
Ge1 Yb3 Ge2 78.86(6) . 3 ?
Ge2 Yb3 Ge2 180.0 7_566 3 ?
Ge1 Yb3 Ge2 78.86(6) 5_565 7_565 ?
Ge1 Yb3 Ge2 101.14(6) 1_556 7_565 ?
Ge1 Yb3 Ge2 132.74(7) 5_566 7_565 ?
Ge1 Yb3 Ge2 47.26(7) . 7_565 ?
Ge2 Yb3 Ge2 79.93(7) 7_566 7_565 ?
Ge2 Yb3 Ge2 100.07(7) 3 7_565 ?
Ge1 Yb3 Ge2 101.14(6) 5_565 3_556 ?
Ge1 Yb3 Ge2 78.86(6) 1_556 3_556 ?
Ge1 Yb3 Ge2 47.26(7) 5_566 3_556 ?
Ge1 Yb3 Ge2 132.74(7) . 3_556 ?
Ge2 Yb3 Ge2 100.07(7) 7_566 3_556 ?
Ge2 Yb3 Ge2 79.93(7) 3 3_556 ?
Ge2 Yb3 Ge2 180.0 7_565 3_556 ?
Ge1 Yb3 Ge3 100.90(6) 5_565 . ?
Ge1 Yb3 Ge3 79.10(6) 1_556 . ?
Ge1 Yb3 Ge3 100.90(6) 5_566 . ?
Ge1 Yb3 Ge3 79.10(6) . . ?
Ge2 Yb3 Ge3 125.66(6) 7_566 . ?
Ge2 Yb3 Ge3 54.34(6) 3 . ?
Ge2 Yb3 Ge3 125.66(6) 7_565 . ?
Ge2 Yb3 Ge3 54.34(6) 3_556 . ?
Ge1 Yb3 Ge3 79.10(6) 5_565 5_566 ?
Ge1 Yb3 Ge3 100.90(6) 1_556 5_566 ?
Ge1 Yb3 Ge3 79.10(6) 5_566 5_566 ?
Ge1 Yb3 Ge3 100.90(6) . 5_566 ?
Ge2 Yb3 Ge3 54.34(6) 7_566 5_566 ?
Ge2 Yb3 Ge3 125.66(6) 3 5_566 ?
Ge2 Yb3 Ge3 54.34(6) 7_565 5_566 ?
Ge2 Yb3 Ge3 125.66(6) 3_556 5_566 ?
Ge3 Yb3 Ge3 180.0 . 5_566 ?
Ge1 Yb3 Ni 97.52(6) 5_565 5_566 ?
Ge1 Yb3 Ni 82.48(6) 1_556 5_566 ?
Ge1 Yb3 Ni 43.89(7) 5_566 5_566 ?
Ge1 Yb3 Ni 136.11(7) . 5_566 ?
Ge2 Yb3 Ni 42.99(7) 7_566 5_566 ?
Ge2 Yb3 Ni 137.01(7) 3 5_566 ?
Ge2 Yb3 Ni 94.26(6) 7_565 5_566 ?
Ge2 Yb3 Ni 85.74(6) 3_556 5_566 ?
Ge3 Yb3 Ni 138.43(4) . 5_566 ?
Ge3 Yb3 Ni 41.57(4) 5_566 5_566 ?
Ge1 Yb3 Ni 82.48(6) 5_565 . ?
Ge1 Yb3 Ni 97.52(6) 1_556 . ?
Ge1 Yb3 Ni 136.11(7) 5_566 . ?
Ge1 Yb3 Ni 43.89(7) . . ?
Ge2 Yb3 Ni 137.01(7) 7_566 . ?
Ge2 Yb3 Ni 42.99(7) 3 . ?
Ge2 Yb3 Ni 85.74(6) 7_565 . ?
Ge2 Yb3 Ni 94.26(6) 3_556 . ?
Ge3 Yb3 Ni 41.57(4) . . ?
Ge3 Yb3 Ni 138.43(4) 5_566 . ?
Ni Yb3 Ni 180.0 5_566 . ?
Ni Ge1 Ge2 129.65(14) . 7_565 ?
Ni Ge1 In 117.10(12) . . ?
Ge2 Ge1 In 113.25(11) 7_565 . ?
Ni Ge1 Yb1 68.69(7) . 1_554 ?
Ge2 Ge1 Yb1 133.83(4) 7_565 1_554 ?
In Ge1 Yb1 68.46(5) . 1_554 ?
Ni Ge1 Yb1 68.69(7) . . ?
Ge2 Ge1 Yb1 133.83(4) 7_565 . ?
In Ge1 Yb1 68.46(5) . . ?
Yb1 Ge1 Yb1 91.14(7) 1_554 . ?
Ni Ge1 Yb1 136.14(4) . 7_566 ?
Ge2 Ge1 Yb1 65.97(7) 7_565 7_566 ?
In Ge1 Yb1 67.08(5) . 7_566 ?
Yb1 Ge1 Yb1 135.51(9) 1_554 7_566 ?
Yb1 Ge1 Yb1 74.25(4) . 7_566 ?
Ni Ge1 Yb1 136.14(4) . 7_565 ?
Ge2 Ge1 Yb1 65.97(7) 7_565 7_565 ?
In Ge1 Yb1 67.08(5) . 7_565 ?
Yb1 Ge1 Yb1 74.25(4) 1_554 7_565 ?
Yb1 Ge1 Yb1 135.51(9) . 7_565 ?
Yb1 Ge1 Yb1 87.19(7) 7_566 7_565 ?
Ni Ge1 Yb3 73.63(7) . 1_554 ?
Ge2 Ge1 Yb3 69.98(6) 7_565 1_554 ?
In Ge1 Yb3 137.06(3) . 1_554 ?
Yb1 Ge1 Yb3 79.55(3) 1_554 1_554 ?
Yb1 Ge1 Yb3 142.01(9) . 1_554 ?
Yb1 Ge1 Yb3 135.86(9) 7_566 1_554 ?
Yb1 Ge1 Yb3 77.39(3) 7_565 1_554 ?
Ni Ge1 Yb3 73.63(7) . . ?
Ge2 Ge1 Yb3 69.98(6) 7_565 . ?
In Ge1 Yb3 137.06(3) . . ?
Yb1 Ge1 Yb3 142.01(9) 1_554 . ?
Yb1 Ge1 Yb3 79.55(3) . . ?
Yb1 Ge1 Yb3 77.39(3) 7_566 . ?
Yb1 Ge1 Yb3 135.86(9) 7_565 . ?
Yb3 Ge1 Yb3 85.49(6) 1_554 . ?
Ni Ge2 Ni 132.78(19) 7 . ?
Ni Ge2 Ge1 117.14(15) 7 3_655 ?
Ni Ge2 Ge1 110.07(14) . 3_655 ?
Ni Ge2 Yb1 136.27(5) 7 . ?
Ni Ge2 Yb1 65.79(8) . . ?
Ge1 Ge2 Yb1 64.69(7) 3_655 . ?
Ni Ge2 Yb1 136.27(5) 7 1_554 ?
Ni Ge2 Yb1 65.79(8) . 1_554 ?
Ge1 Ge2 Yb1 64.69(7) 3_655 1_554 ?
Yb1 Ge2 Yb1 86.08(8) . 1_554 ?
Ni Ge2 Yb2 66.58(10) 7 . ?
Ni Ge2 Yb2 66.20(10) . . ?
Ge1 Ge2 Yb2 176.28(13) 3_655 . ?
Yb1 Ge2 Yb2 112.84(7) . . ?
Yb1 Ge2 Yb2 112.84(7) 1_554 . ?
Ni Ge2 Yb3 70.22(8) 7 3_655 ?
Ni Ge2 Yb3 137.27(6) . 3_655 ?
Ge1 Ge2 Yb3 62.77(7) 3_655 3_655 ?
Yb1 Ge2 Yb3 74.36(4) . 3_655 ?
Yb1 Ge2 Yb3 127.39(10) 1_554 3_655 ?
Yb2 Ge2 Yb3 119.78(7) . 3_655 ?
Ni Ge2 Yb3 70.22(8) 7 3_654 ?
Ni Ge2 Yb3 137.27(6) . 3_654 ?
Ge1 Ge2 Yb3 62.77(7) 3_655 3_654 ?
Yb1 Ge2 Yb3 127.39(10) . 3_654 ?
Yb1 Ge2 Yb3 74.36(4) 1_554 3_654 ?
Yb2 Ge2 Yb3 119.78(7) . 3_654 ?
Yb3 Ge2 Yb3 79.93(7) 3_655 3_654 ?
Ni Ge3 Ni 126.59(18) 1_556 . ?
Ni Ge3 Yb2 160.18(13) 1_556 . ?
Ni Ge3 Yb2 71.69(7) . . ?
Ni Ge3 Yb2 71.69(7) 1_556 1_556 ?
Ni Ge3 Yb2 160.18(13) . 1_556 ?
Yb2 Ge3 Yb2 89.24(8) . 1_556 ?
Ni Ge3 Yb1 67.62(10) 1_556 . ?
Ni Ge3 Yb1 67.62(10) . . ?
Yb2 Ge3 Yb1 120.95(8) . . ?
Yb2 Ge3 Yb1 120.95(8) 1_556 . ?
Ni Ge3 Yb3 70.89(10) 1_556 . ?
Ni Ge3 Yb3 70.89(10) . . ?
Yb2 Ge3 Yb3 127.32(7) . . ?
Yb2 Ge3 Yb3 127.32(7) 1_556 . ?
Yb1 Ge3 Yb3 75.33(7) . . ?
Ge3 Ni Ge3 126.59(18) 1_554 . ?
Ge3 Ni Ge1 116.56(9) 1_554 . ?
Ge3 Ni Ge1 116.56(9) . . ?
Ge3 Ni Ge2 77.43(11) 1_554 3 ?
Ge3 Ni Ge2 77.43(11) . 3 ?
Ge1 Ni Ge2 113.20(15) . 3 ?
Ge3 Ni Ge2 83.84(12) 1_554 . ?
Ge3 Ni Ge2 83.84(12) . . ?
Ge1 Ni Ge2 109.58(15) . . ?
Ge2 Ni Ge2 137.22(19) 3 . ?
Ge3 Ni Yb1 146.92(14) 1_554 . ?
Ge3 Ni Yb1 67.01(8) . . ?
Ge1 Ni Yb1 63.77(7) . . ?
Ge2 Ni Yb1 134.72(5) 3 . ?
Ge2 Ni Yb1 66.76(8) . . ?
Ge3 Ni Yb1 67.01(8) 1_554 1_554 ?
Ge3 Ni Yb1 146.92(14) . 1_554 ?
Ge1 Ni Yb1 63.77(7) . 1_554 ?
Ge2 Ni Yb1 134.72(5) 3 1_554 ?
Ge2 Ni Yb1 66.76(8) . 1_554 ?
Yb1 Ni Yb1 86.88(8) . 1_554 ?
Ge3 Ni Yb2 63.56(9) 1_554 . ?
Ge3 Ni Yb2 63.56(9) . . ?
Ge1 Ni Yb2 177.97(14) . . ?
Ge2 Ni Yb2 68.82(10) 3 . ?
Ge2 Ni Yb2 68.40(10) . . ?
Yb1 Ni Yb2 114.92(7) . . ?
Yb1 Ni Yb2 114.92(7) 1_554 . ?
Ge3 Ni Yb3 137.62(14) 1_554 . ?
Ge3 Ni Yb3 67.54(9) . . ?
Ge1 Ni Yb3 62.48(7) . . ?
Ge2 Ni Yb3 66.79(8) 3 . ?
Ge2 Ni Yb3 138.20(6) . . ?
Yb1 Ni Yb3 74.07(4) . . ?
Yb1 Ni Yb3 126.03(10) 1_554 . ?
Yb2 Ni Yb3 118.94(7) . . ?
Ge3 Ni Yb3 67.54(9) 1_554 1_554 ?
Ge3 Ni Yb3 137.62(14) . 1_554 ?
Ge1 Ni Yb3 62.48(7) . 1_554 ?
Ge2 Ni Yb3 66.79(8) 3 1_554 ?
Ge2 Ni Yb3 138.20(6) . 1_554 ?
Yb1 Ni Yb3 126.03(10) . 1_554 ?
Yb1 Ni Yb3 74.07(4) 1_554 1_554 ?
Yb2 Ni Yb3 118.94(7) . 1_554 ?
Yb3 Ni Yb3 77.70(6) . 1_554 ?
Ge1 In Ge1 90.0 3_655 . ?
Ge1 In Ge1 90.0 3_655 5_665 ?
Ge1 In Ge1 180.0 . 5_665 ?
Ge1 In Ge1 180.0 3_655 7_565 ?
Ge1 In Ge1 90.0 . 7_565 ?
Ge1 In Ge1 90.0 5_665 7_565 ?
Ge1 In Yb1 58.00(3) 3_655 1_554 ?
Ge1 In Yb1 55.79(3) . 1_554 ?
Ge1 In Yb1 124.21(3) 5_665 1_554 ?
Ge1 In Yb1 122.00(3) 7_565 1_554 ?
Ge1 In Yb1 122.00(3) 3_655 5_666 ?
Ge1 In Yb1 124.21(3) . 5_666 ?
Ge1 In Yb1 55.79(3) 5_665 5_666 ?
Ge1 In Yb1 58.00(3) 7_565 5_666 ?
Yb1 In Yb1 180.0 1_554 5_666 ?
Ge1 In Yb1 55.79(3) 3_655 3_654 ?
Ge1 In Yb1 122.00(3) . 3_654 ?
Ge1 In Yb1 58.00(3) 5_665 3_654 ?
Ge1 In Yb1 124.21(3) 7_565 3_654 ?
Yb1 In Yb1 66.227(12) 1_554 3_654 ?
Yb1 In Yb1 113.773(12) 5_666 3_654 ?
Ge1 In Yb1 55.79(3) 3_655 3_655 ?
Ge1 In Yb1 122.00(3) . 3_655 ?
Ge1 In Yb1 58.00(3) 5_665 3_655 ?
Ge1 In Yb1 124.21(3) 7_565 3_655 ?
Yb1 In Yb1 113.773(12) 1_554 3_655 ?
Yb1 In Yb1 66.227(12) 5_666 3_655 ?
Yb1 In Yb1 78.83(2) 3_654 3_655 ?
Ge1 In Yb1 58.00(3) 3_655 . ?
Ge1 In Yb1 55.79(3) . . ?
Ge1 In Yb1 124.21(3) 5_665 . ?
Ge1 In Yb1 122.00(3) 7_565 . ?
Yb1 In Yb1 78.83(2) 1_554 . ?
Yb1 In Yb1 101.17(2) 5_666 . ?
Yb1 In Yb1 113.773(12) 3_654 . ?
Yb1 In Yb1 66.227(12) 3_655 . ?
Ge1 In Yb1 124.21(3) 3_655 7_566 ?
Ge1 In Yb1 58.00(3) . 7_566 ?
Ge1 In Yb1 122.00(3) 5_665 7_566 ?
Ge1 In Yb1 55.79(3) 7_565 7_566 ?
Yb1 In Yb1 113.773(12) 1_554 7_566 ?
Yb1 In Yb1 66.227(12) 5_666 7_566 ?
Yb1 In Yb1 180.0 3_654 7_566 ?
Yb1 In Yb1 101.17(2) 3_655 7_566 ?
Yb1 In Yb1 66.227(12) . 7_566 ?
Ge1 In Yb1 124.21(3) 3_655 7_565 ?
Ge1 In Yb1 58.00(3) . 7_565 ?
Ge1 In Yb1 122.00(3) 5_665 7_565 ?
Ge1 In Yb1 55.79(3) 7_565 7_565 ?
Yb1 In Yb1 66.227(12) 1_554 7_565 ?
Yb1 In Yb1 113.773(12) 5_666 7_565 ?
Yb1 In Yb1 101.17(2) 3_654 7_565 ?
Yb1 In Yb1 180.0 3_655 7_565 ?
Yb1 In Yb1 113.773(12) . 7_565 ?
Yb1 In Yb1 78.83(2) 7_566 7_565 ?
Ge1 In Yb1 122.00(3) 3_655 5_665 ?
Ge1 In Yb1 124.21(3) . 5_665 ?
Ge1 In Yb1 55.79(3) 5_665 5_665 ?
Ge1 In Yb1 58.00(3) 7_565 5_665 ?
Yb1 In Yb1 101.17(2) 1_554 5_665 ?
Yb1 In Yb1 78.83(2) 5_666 5_665 ?
Yb1 In Yb1 66.227(12) 3_654 5_665 ?
Yb1 In Yb1 113.773(12) 3_655 5_665 ?
Yb1 In Yb1 180.00(3) . 5_665 ?
Yb1 In Yb1 113.773(12) 7_566 5_665 ?
Yb1 In Yb1 66.227(12) 7_565 5_665 ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         3.169
_refine_diff_density_min         -4.497
_refine_diff_density_rms         0.865
