#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:54:16 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179083 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/45/4304562.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4304562
loop_
_publ_author_name
'Boniface P. T. Fokwa'
'German D. Samolyuk'
'Gordon J. Miller'
'Richard Dronskowski'
_publ_section_title
;
Ladders of a Magnetically Active Element in the Structure of the Novel
Complex Boride Ti9Fe2Ru18B8: Synthesis, Structure, Bonding, and Magnetism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2113
_journal_page_last               2120
_journal_paper_doi               10.1021/ic7020963
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'B8 Fe2 Ru18 Ti9'
_chemical_formula_weight         2448.54
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_atom_sites_solution_hydrogens   refall
_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            2
_cell_length_a                   17.525(3)
_cell_length_b                   17.525(3)
_cell_length_c                   2.9678(5)
_cell_measurement_temperature    293(2)
_cell_volume                     911.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Diamond 2.1c (K. Brandenburg, 1999)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'integretion method'
_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  0.0690
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            18824
_diffrn_reflns_theta_full        36.19
_diffrn_reflns_theta_max         36.19
_diffrn_reflns_theta_min         4.65
_exptl_absorpt_coefficient_mu    19.594
_exptl_absorpt_correction_T_max  0.508
_exptl_absorpt_correction_T_min  0.157
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS(Bruker, 2001)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    8.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2164
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.957
_refine_diff_density_min         -3.298
_refine_diff_density_rms         0.532
_refine_ls_extinction_coef       0.00046(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_reflns         1273
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.270
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0513
_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/[σ²(Fo²)+(0.0282P)²+24.3354P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                1128
_reflns_number_total             1273
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7020963-file011.cif
_cod_data_source_block           X
_cod_original_cell_volume        911.4(3)
_cod_database_code               4304562
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-y-1/2, -x-1/2, z'
'y-1/2, x-1/2, z'
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
Ru1 Ru 0.25340(4) 0.91957(4) 0.0000 0.00481(15) Uani 1 2 d S . .
Ru2 Ru 0.41531(4) 0.91531(4) 0.0000 0.00474(19) Uani 1 4 d S . .
Ru3 Ru 0.32600(4) 0.05251(4) 0.0000 0.00572(16) Uani 1 2 d S . .
Ru4 Ru 0.16877(4) 0.78918(4) 0.0000 0.00521(16) Uani 1 2 d S . .
Ru5 Ru 0.09803(4) 0.93104(4) 0.0000 0.00448(15) Uani 1 2 d S . .
Ti1 Ti 0.30406(11) 0.80406(11) 0.5000 0.0068(4) Uani 1 4 d S . .
Ti2 Ti 0.0000 0.0000 0.5000 0.0040(5) Uani 1 8 d S . .
Ti3 Ti 0.18710(10) 0.03574(10) 0.5000 0.0069(3) Uani 1 2 d S . .
Ti4 Ti 0.32744(10) 0.17256(10) 0.5000 0.0070(4) Uani 1 4 d S . .
Fe Fe 0.44978(8) 1.05022(8) 0.5000 0.0061(4) Uani 1 4 d S . .
B1 B 0.1693(6) 0.8787(6) -0.5000 0.0073(18) Uiso 1 2 d S . .
B2 B 0.3348(7) 0.9625(7) 0.5000 0.0098(19) Uiso 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
B2 Ru1 B2 85.2(4) . 1_554 ?
B2 Ru1 B1 178.5(4) . . ?
B2 Ru1 B1 95.2(3) 1_554 . ?
B2 Ru1 B1 95.2(3) . 1_556 ?
B2 Ru1 B1 178.5(4) 1_554 1_556 ?
B1 Ru1 B1 84.3(4) . 1_556 ?
B2 Ru1 Ru3 52.2(3) . 1_565 ?
B2 Ru1 Ru3 52.2(3) 1_554 1_565 ?
B1 Ru1 Ru3 127.2(3) . 1_565 ?
B1 Ru1 Ru3 127.2(3) 1_556 1_565 ?
B2 Ru1 Ti1 114.9(3) . 1_554 ?
B2 Ru1 Ti1 70.5(3) 1_554 1_554 ?
B1 Ru1 Ti1 66.5(3) . 1_554 ?
B1 Ru1 Ti1 110.5(3) 1_556 1_554 ?
Ru3 Ru1 Ti1 120.50(6) 1_565 1_554 ?
B2 Ru1 Ti1 70.5(3) . . ?
B2 Ru1 Ti1 114.9(3) 1_554 . ?
B1 Ru1 Ti1 110.5(3) . . ?
B1 Ru1 Ti1 66.5(3) 1_556 . ?
Ru3 Ru1 Ti1 120.50(6) 1_565 . ?
Ti1 Ru1 Ti1 67.75(3) 1_554 . ?
B2 Ru1 Ru4 130.0(3) . . ?
B2 Ru1 Ru4 130.0(3) 1_554 . ?
B1 Ru1 Ru4 50.6(2) . . ?
B1 Ru1 Ru4 50.6(2) 1_556 . ?
Ru3 Ru1 Ru4 175.65(4) 1_565 . ?
Ti1 Ru1 Ru4 62.85(6) 1_554 . ?
Ti1 Ru1 Ru4 62.85(6) . . ?
B2 Ru1 Ru5 128.6(3) . . ?
B2 Ru1 Ru5 128.6(3) 1_554 . ?
B1 Ru1 Ru5 50.1(2) . . ?
B1 Ru1 Ru5 50.1(2) 1_556 . ?
Ru3 Ru1 Ru5 114.42(3) 1_565 . ?
Ti1 Ru1 Ru5 112.86(5) 1_554 . ?
Ti1 Ru1 Ru5 112.86(5) . . ?
Ru4 Ru1 Ru5 61.23(3) . . ?
B2 Ru1 Ti3 70.0(3) . 1_565 ?
B2 Ru1 Ti3 112.5(3) 1_554 1_565 ?
B1 Ru1 Ti3 108.5(3) . 1_565 ?
B1 Ru1 Ti3 66.4(3) 1_556 1_565 ?
Ru3 Ru1 Ti3 63.68(4) 1_565 1_565 ?
Ti1 Ru1 Ti3 174.72(7) 1_554 1_565 ?
Ti1 Ru1 Ti3 113.55(2) . 1_565 ?
Ru4 Ru1 Ti3 112.80(5) . 1_565 ?
Ru5 Ru1 Ti3 61.86(4) . 1_565 ?
B2 Ru1 Ti3 112.5(3) . 1_564 ?
B2 Ru1 Ti3 70.0(3) 1_554 1_564 ?
B1 Ru1 Ti3 66.4(3) . 1_564 ?
B1 Ru1 Ti3 108.5(3) 1_556 1_564 ?
Ru3 Ru1 Ti3 63.68(4) 1_565 1_564 ?
Ti1 Ru1 Ti3 113.55(2) 1_554 1_564 ?
Ti1 Ru1 Ti3 174.72(7) . 1_564 ?
Ru4 Ru1 Ti3 112.80(5) . 1_564 ?
Ru5 Ru1 Ti3 61.86(4) . 1_564 ?
Ti3 Ru1 Ti3 64.67(4) 1_565 1_564 ?
B2 Ru1 Ru2 50.1(3) . . ?
B2 Ru1 Ru2 50.1(3) 1_554 . ?
B1 Ru1 Ru2 131.2(2) . . ?
B1 Ru1 Ru2 131.2(2) 1_556 . ?
Ru3 Ru1 Ru2 62.87(3) 1_565 . ?
Ti1 Ru1 Ru2 69.31(5) 1_554 . ?
Ti1 Ru1 Ru2 69.31(5) . . ?
Ru4 Ru1 Ru2 121.48(3) . . ?
Ru5 Ru1 Ru2 177.29(4) . . ?
Ti3 Ru1 Ru2 115.98(5) 1_565 . ?
Ti3 Ru1 Ru2 115.98(5) 1_564 . ?
B2 Ru2 B2 84.4(4) 7_455 7_456 ?
B2 Ru2 B2 91.5(5) 7_455 1_554 ?
B2 Ru2 B2 158.5(6) 7_456 1_554 ?
B2 Ru2 B2 158.5(6) 7_455 . ?
B2 Ru2 B2 91.5(5) 7_456 . ?
B2 Ru2 B2 84.4(4) 1_554 . ?
B2 Ru2 Ru1 49.6(3) 7_455 7_455 ?
B2 Ru2 Ru1 49.6(3) 7_456 7_455 ?
B2 Ru2 Ru1 113.0(3) 1_554 7_455 ?
B2 Ru2 Ru1 113.0(3) . 7_455 ?
B2 Ru2 Ru1 113.0(3) 7_455 . ?
B2 Ru2 Ru1 113.0(3) 7_456 . ?
B2 Ru2 Ru1 49.6(3) 1_554 . ?
B2 Ru2 Ru1 49.6(3) . . ?
Ru1 Ru2 Ru1 93.02(4) 7_455 . ?
B2 Ru2 Fe 143.0(3) 7_455 . ?
B2 Ru2 Fe 95.8(3) 7_456 . ?
B2 Ru2 Fe 100.0(3) 1_554 . ?
B2 Ru2 Fe 58.4(3) . . ?
Ru1 Ru2 Fe 145.28(3) 7_455 . ?
Ru1 Ru2 Fe 100.93(4) . . ?
B2 Ru2 Fe 100.0(3) 7_455 9_676 ?
B2 Ru2 Fe 58.4(3) 7_456 9_676 ?
B2 Ru2 Fe 143.0(3) 1_554 9_676 ?
B2 Ru2 Fe 95.8(3) . 9_676 ?
Ru1 Ru2 Fe 100.93(4) 7_455 9_676 ?
Ru1 Ru2 Fe 145.28(3) . 9_676 ?
Fe Ru2 Fe 51.67(8) . 9_676 ?
B2 Ru2 Fe 95.8(3) 7_455 1_554 ?
B2 Ru2 Fe 143.0(3) 7_456 1_554 ?
B2 Ru2 Fe 58.4(3) 1_554 1_554 ?
B2 Ru2 Fe 100.0(3) . 1_554 ?
Ru1 Ru2 Fe 145.28(3) 7_455 1_554 ?
Ru1 Ru2 Fe 100.93(4) . 1_554 ?
Fe Ru2 Fe 62.61(3) . 1_554 ?
Fe Ru2 Fe 85.40(5) 9_676 1_554 ?
B2 Ru2 Fe 58.4(3) 7_455 9_675 ?
B2 Ru2 Fe 100.0(3) 7_456 9_675 ?
B2 Ru2 Fe 95.8(3) 1_554 9_675 ?
B2 Ru2 Fe 143.0(3) . 9_675 ?
Ru1 Ru2 Fe 100.93(4) 7_455 9_675 ?
Ru1 Ru2 Fe 145.28(3) . 9_675 ?
Fe Ru2 Fe 85.40(5) . 9_675 ?
Fe Ru2 Fe 62.61(3) 9_676 9_675 ?
Fe Ru2 Fe 51.67(8) 1_554 9_675 ?
B2 Ru2 Ru3 48.5(3) 7_455 7 ?
B2 Ru2 Ru3 48.5(3) 7_456 7 ?
B2 Ru2 Ru3 137.7(2) 1_554 7 ?
B2 Ru2 Ru3 137.7(2) . 7 ?
Ru1 Ru2 Ru3 55.43(2) 7_455 7 ?
Ru1 Ru2 Ru3 148.45(4) . 7 ?
Fe Ru2 Ru3 105.92(5) . 7 ?
Fe Ru2 Ru3 54.66(4) 9_676 7 ?
Fe Ru2 Ru3 105.92(5) 1_554 7 ?
Fe Ru2 Ru3 54.66(4) 9_675 7 ?
B2 Ru2 Ru3 137.7(2) 7_455 1_565 ?
B2 Ru2 Ru3 137.7(2) 7_456 1_565 ?
B2 Ru2 Ru3 48.5(3) 1_554 1_565 ?
B2 Ru2 Ru3 48.5(3) . 1_565 ?
Ru1 Ru2 Ru3 148.45(4) 7_455 1_565 ?
Ru1 Ru2 Ru3 55.43(2) . 1_565 ?
Fe Ru2 Ru3 54.66(4) . 1_565 ?
Fe Ru2 Ru3 105.92(5) 9_676 1_565 ?
Fe Ru2 Ru3 54.66(4) 1_554 1_565 ?
Fe Ru2 Ru3 105.92(5) 9_675 1_565 ?
Ru3 Ru2 Ru3 156.12(5) 7 1_565 ?
B2 Ru3 B2 86.2(4) 1_544 1_545 ?
B2 Ru3 Ti4 170.7(3) 1_544 . ?
B2 Ru3 Ti4 101.5(2) 1_545 . ?
B2 Ru3 Ti4 101.5(2) 1_544 1_554 ?
B2 Ru3 Ti4 170.7(3) 1_545 1_554 ?
Ti4 Ru3 Ti4 70.39(5) . 1_554 ?
B2 Ru3 Fe 108.4(3) 1_544 1_545 ?
B2 Ru3 Fe 62.9(3) 1_545 1_545 ?
Ti4 Ru3 Fe 71.28(6) . 1_545 ?
Ti4 Ru3 Fe 109.25(4) 1_554 1_545 ?
B2 Ru3 Fe 62.9(3) 1_544 1_544 ?
B2 Ru3 Fe 108.4(3) 1_545 1_544 ?
Ti4 Ru3 Fe 109.25(4) . 1_544 ?
Ti4 Ru3 Fe 71.28(6) 1_554 1_544 ?
Fe Ru3 Fe 68.74(4) 1_545 1_544 ?
B2 Ru3 Ru1 52.9(3) 1_544 1_545 ?
B2 Ru3 Ru1 52.9(3) 1_545 1_545 ?
Ti4 Ru3 Ru1 136.21(3) . 1_545 ?
Ti4 Ru3 Ru1 136.21(3) 1_554 1_545 ?
Fe Ru3 Ru1 112.47(4) 1_545 1_545 ?
Fe Ru3 Ru1 112.47(4) 1_544 1_545 ?
B2 Ru3 Ti3 68.4(3) 1_544 1_554 ?
B2 Ru3 Ti3 109.9(3) 1_545 1_554 ?
Ti4 Ru3 Ti3 112.99(6) . 1_554 ?
Ti4 Ru3 Ti3 78.09(4) 1_554 1_554 ?
Fe Ru3 Ti3 172.60(5) 1_545 1_554 ?
Fe Ru3 Ti3 114.02(3) 1_544 1_554 ?
Ru1 Ru3 Ti3 60.19(4) 1_545 1_554 ?
B2 Ru3 Ti3 109.9(3) 1_544 . ?
B2 Ru3 Ti3 68.4(3) 1_545 . ?
Ti4 Ru3 Ti3 78.09(4) . . ?
Ti4 Ru3 Ti3 112.99(6) 1_554 . ?
Fe Ru3 Ti3 114.02(3) 1_545 . ?
Fe Ru3 Ti3 172.60(5) 1_544 . ?
Ru1 Ru3 Ti3 60.19(4) 1_545 . ?
Ti3 Ru3 Ti3 62.37(4) 1_554 . ?
B2 Ru3 Ru4 124.5(3) 1_544 3_655 ?
B2 Ru3 Ru4 124.5(3) 1_545 3_655 ?
Ti4 Ru3 Ru4 55.00(5) . 3_655 ?
Ti4 Ru3 Ru4 55.00(5) 1_554 3_655 ?
Fe Ru3 Ru4 126.27(4) 1_545 3_655 ?
Fe Ru3 Ru4 126.27(4) 1_544 3_655 ?
Ru1 Ru3 Ru4 106.63(3) 1_545 3_655 ?
Ti3 Ru3 Ru4 58.34(4) 1_554 3_655 ?
Ti3 Ru3 Ru4 58.34(4) . 3_655 ?
B2 Ru3 Ru2 49.6(3) 1_544 1_545 ?
B2 Ru3 Ru2 49.6(3) 1_545 1_545 ?
Ti4 Ru3 Ru2 132.80(5) . 1_545 ?
Ti4 Ru3 Ru2 132.80(5) 1_554 1_545 ?
Fe Ru3 Ru2 62.42(4) 1_545 1_545 ?
Fe Ru3 Ru2 62.42(4) 1_544 1_545 ?
Ru1 Ru3 Ru2 61.70(3) 1_545 1_545 ?
Ti3 Ru3 Ru2 112.17(5) 1_554 1_545 ?
Ti3 Ru3 Ru2 112.17(5) . 1_545 ?
Ru4 Ru3 Ru2 168.33(4) 3_655 1_545 ?
B2 Ru3 Ru3 133.1(2) 1_544 1_556 ?
B2 Ru3 Ru3 46.9(2) 1_545 1_556 ?
Ti4 Ru3 Ru3 54.81(3) . 1_556 ?
Ti4 Ru3 Ru3 125.19(3) 1_554 1_556 ?
Fe Ru3 Ru3 55.63(2) 1_545 1_556 ?
Fe Ru3 Ru3 124.37(2) 1_544 1_556 ?
Ru1 Ru3 Ru3 90.0 1_545 1_556 ?
Ti3 Ru3 Ru3 121.18(2) 1_554 1_556 ?
Ti3 Ru3 Ru3 58.82(2) . 1_556 ?
Ru4 Ru3 Ru3 90.0 3_655 1_556 ?
Ru2 Ru3 Ru3 90.0 1_545 1_556 ?
B1 Ru4 B1 86.8(4) 1_556 . ?
B1 Ru4 Ti4 172.4(2) 1_556 11_565 ?
B1 Ru4 Ti4 100.6(2) . 11_565 ?
B1 Ru4 Ti4 100.6(2) 1_556 11_566 ?
B1 Ru4 Ti4 172.4(2) . 11_566 ?
Ti4 Ru4 Ti4 71.93(5) 11_565 11_566 ?
B1 Ru4 Ru1 52.3(3) 1_556 . ?
B1 Ru4 Ru1 52.3(3) . . ?
Ti4 Ru4 Ru1 131.62(5) 11_565 . ?
Ti4 Ru4 Ru1 131.62(5) 11_566 . ?
B1 Ru4 Ru5 49.6(2) 1_556 . ?
B1 Ru4 Ru5 49.6(2) . . ?
Ti4 Ru4 Ru5 137.36(2) 11_565 . ?
Ti4 Ru4 Ru5 137.36(2) 11_566 . ?
Ru1 Ru4 Ru5 59.49(3) . . ?
B1 Ru4 Ti3 105.1(3) 1_556 11_565 ?
B1 Ru4 Ti3 62.0(3) . 11_565 ?
Ti4 Ru4 Ti3 80.23(4) 11_565 11_565 ?
Ti4 Ru4 Ti3 117.01(6) 11_566 11_565 ?
Ru1 Ru4 Ti3 109.23(5) . 11_565 ?
Ru5 Ru4 Ti3 59.64(4) . 11_565 ?
B1 Ru4 Ti3 62.0(3) 1_556 11_566 ?
B1 Ru4 Ti3 105.1(3) . 11_566 ?
Ti4 Ru4 Ti3 117.01(6) 11_565 11_566 ?
Ti4 Ru4 Ti3 80.23(4) 11_566 11_566 ?
Ru1 Ru4 Ti3 109.23(5) . 11_566 ?
Ru5 Ru4 Ti3 59.64(4) . 11_566 ?
Ti3 Ru4 Ti3 64.14(5) 11_565 11_566 ?
B1 Ru4 Ti1 64.3(3) 1_556 . ?
B1 Ru4 Ti1 107.0(3) . . ?
Ti4 Ru4 Ti1 111.29(4) 11_565 . ?
Ti4 Ru4 Ti1 75.09(7) 11_566 . ?
Ru1 Ru4 Ti1 57.50(4) . . ?
Ru5 Ru4 Ti1 107.08(4) . . ?
Ti3 Ru4 Ti1 166.12(6) 11_565 . ?
Ti3 Ru4 Ti1 114.19(3) 11_566 . ?
B1 Ru4 Ti1 107.0(3) 1_556 1_554 ?
B1 Ru4 Ti1 64.3(3) . 1_554 ?
Ti4 Ru4 Ti1 75.09(7) 11_565 1_554 ?
Ti4 Ru4 Ti1 111.29(4) 11_566 1_554 ?
Ru1 Ru4 Ti1 57.50(4) . 1_554 ?
Ru5 Ru4 Ti1 107.08(4) . 1_554 ?
Ti3 Ru4 Ti1 114.19(3) 11_565 1_554 ?
Ti3 Ru4 Ti1 166.12(6) 11_566 1_554 ?
Ti1 Ru4 Ti1 63.78(5) . 1_554 ?
B1 Ru4 Ru3 120.9(3) 1_556 11_565 ?
B1 Ru4 Ru3 120.9(3) . 11_565 ?
Ti4 Ru4 Ru3 56.59(5) 11_565 11_565 ?
Ti4 Ru4 Ru3 56.59(5) 11_566 11_565 ?
Ru1 Ru4 Ru3 167.72(4) . 11_565 ?
Ru5 Ru4 Ru3 108.23(3) . 11_565 ?
Ti3 Ru4 Ru3 60.79(4) 11_565 11_565 ?
Ti3 Ru4 Ru3 60.79(4) 11_566 11_565 ?
Ti1 Ru4 Ru3 131.67(5) . 11_565 ?
Ti1 Ru4 Ru3 131.67(5) 1_554 11_565 ?
B1 Ru4 Ru4 133.4(2) 1_556 1_554 ?
B1 Ru4 Ru4 46.6(2) . 1_554 ?
Ti4 Ru4 Ru4 54.03(3) 11_565 1_554 ?
Ti4 Ru4 Ru4 125.97(3) 11_566 1_554 ?
Ru1 Ru4 Ru4 90.0 . 1_554 ?
Ru5 Ru4 Ru4 90.0 . 1_554 ?
Ti3 Ru4 Ru4 57.93(2) 11_565 1_554 ?
Ti3 Ru4 Ru4 122.07(2) 11_566 1_554 ?
Ti1 Ru4 Ru4 121.89(2) . 1_554 ?
Ti1 Ru4 Ru4 58.11(2) 1_554 1_554 ?
Ru3 Ru4 Ru4 90.0 11_565 1_554 ?
B1 Ru5 B1 87.5(4) 1_556 . ?
B1 Ru5 Ti2 171.4(2) 1_556 1_564 ?
B1 Ru5 Ti2 101.0(2) . 1_564 ?
B1 Ru5 Ti2 101.0(2) 1_556 1_565 ?
B1 Ru5 Ti2 171.4(2) . 1_565 ?
Ti2 Ru5 Ti2 70.48(2) 1_564 1_565 ?
B1 Ru5 Ru1 52.3(3) 1_556 . ?
B1 Ru5 Ru1 52.3(3) . . ?
Ti2 Ru5 Ru1 134.49(2) 1_564 . ?
Ti2 Ru5 Ru1 134.49(2) 1_565 . ?
B1 Ru5 Ti3 106.3(3) 1_556 11_565 ?
B1 Ru5 Ti3 62.6(3) . 11_565 ?
Ti2 Ru5 Ti3 77.23(4) 1_564 11_565 ?
Ti2 Ru5 Ti3 113.39(4) 1_565 11_565 ?
Ru1 Ru5 Ti3 109.75(5) . 11_565 ?
B1 Ru5 Ti3 62.6(3) 1_556 11_566 ?
B1 Ru5 Ti3 106.3(3) . 11_566 ?
Ti2 Ru5 Ti3 113.39(4) 1_564 11_566 ?
Ti2 Ru5 Ti3 77.23(4) 1_565 11_566 ?
Ru1 Ru5 Ti3 109.75(5) . 11_566 ?
Ti3 Ru5 Ti3 64.75(5) 11_565 11_566 ?
B1 Ru5 Ru4 50.0(2) 1_556 . ?
B1 Ru5 Ru4 50.0(2) . . ?
Ti2 Ru5 Ru4 135.94(2) 1_564 . ?
Ti2 Ru5 Ru4 135.94(2) 1_565 . ?
Ru1 Ru5 Ru4 59.27(3) . . ?
Ti3 Ru5 Ru4 60.48(4) 11_565 . ?
Ti3 Ru5 Ru4 60.48(4) 11_566 . ?
B1 Ru5 Ti3 66.0(3) 1_556 1_565 ?
B1 Ru5 Ti3 108.6(3) . 1_565 ?
Ti2 Ru5 Ti3 111.49(4) 1_564 1_565 ?
Ti2 Ru5 Ti3 76.18(4) 1_565 1_565 ?
Ru1 Ru5 Ti3 59.84(4) . 1_565 ?
Ti3 Ru5 Ti3 169.31(6) 11_565 1_565 ?
Ti3 Ru5 Ti3 114.90(2) 11_566 1_565 ?
Ru4 Ru5 Ti3 109.52(4) . 1_565 ?
B1 Ru5 Ti3 108.6(3) 1_556 1_564 ?
B1 Ru5 Ti3 66.0(3) . 1_564 ?
Ti2 Ru5 Ti3 76.18(4) 1_564 1_564 ?
Ti2 Ru5 Ti3 111.49(4) 1_565 1_564 ?
Ru1 Ru5 Ti3 59.84(4) . 1_564 ?
Ti3 Ru5 Ti3 114.90(2) 11_565 1_564 ?
Ti3 Ru5 Ti3 169.31(6) 11_566 1_564 ?
Ru4 Ru5 Ti3 109.52(4) . 1_564 ?
Ti3 Ru5 Ti3 63.26(4) 1_565 1_564 ?
B1 Ru5 Ru5 46.2(2) 1_556 1_556 ?
B1 Ru5 Ru5 133.8(2) . 1_556 ?
Ti2 Ru5 Ru5 125.240(12) 1_564 1_556 ?
Ti2 Ru5 Ru5 54.760(12) 1_565 1_556 ?
Ru1 Ru5 Ru5 90.0 . 1_556 ?
Ti3 Ru5 Ru5 122.38(2) 11_565 1_556 ?
Ti3 Ru5 Ru5 57.62(2) 11_566 1_556 ?
Ru4 Ru5 Ru5 90.0 . 1_556 ?
Ti3 Ru5 Ru5 58.37(2) 1_565 1_556 ?
Ti3 Ru5 Ru5 121.63(2) 1_564 1_556 ?
B1 Ru5 Ru5 133.8(2) 1_556 1_554 ?
B1 Ru5 Ru5 46.2(2) . 1_554 ?
Ti2 Ru5 Ru5 54.760(12) 1_564 1_554 ?
Ti2 Ru5 Ru5 125.240(12) 1_565 1_554 ?
Ru1 Ru5 Ru5 90.0 . 1_554 ?
Ti3 Ru5 Ru5 57.62(2) 11_565 1_554 ?
Ti3 Ru5 Ru5 122.38(2) 11_566 1_554 ?
Ru4 Ru5 Ru5 90.0 . 1_554 ?
Ti3 Ru5 Ru5 121.63(2) 1_565 1_554 ?
Ti3 Ru5 Ru5 58.37(2) 1_564 1_554 ?
Ru5 Ru5 Ru5 180.00(6) 1_556 1_554 ?
Ru1 Ti1 Ru1 101.33(5) 1_556 7_456 ?
Ru1 Ti1 Ru1 144.86(11) 1_556 7_455 ?
Ru1 Ti1 Ru1 67.75(3) 7_456 7_455 ?
Ru1 Ti1 Ru1 67.75(3) 1_556 . ?
Ru1 Ti1 Ru1 144.86(11) 7_456 . ?
Ru1 Ti1 Ru1 101.33(5) 7_455 . ?
Ru1 Ti1 B1 48.70(16) 1_556 1_556 ?
Ru1 Ti1 B1 145.76(3) 7_456 1_556 ?
Ru1 Ti1 B1 145.76(3) 7_455 1_556 ?
Ru1 Ti1 B1 48.70(16) . 1_556 ?
Ru1 Ti1 B1 145.76(4) 1_556 7_455 ?
Ru1 Ti1 B1 48.70(16) 7_456 7_455 ?
Ru1 Ti1 B1 48.70(16) 7_455 7_455 ?
Ru1 Ti1 B1 145.76(4) . 7_455 ?
B1 Ti1 B1 147.9(5) 1_556 7_455 ?
Ru1 Ti1 Ru4 154.86(9) 1_556 7_455 ?
Ru1 Ti1 Ru4 94.79(3) 7_456 7_455 ?
Ru1 Ti1 Ru4 59.65(3) 7_455 7_455 ?
Ru1 Ti1 Ru4 108.44(3) . 7_455 ?
B1 Ti1 Ru4 109.1(2) 1_556 7_455 ?
B1 Ti1 Ru4 46.10(17) 7_455 7_455 ?
Ru1 Ti1 Ru4 94.79(3) 1_556 . ?
Ru1 Ti1 Ru4 154.86(9) 7_456 . ?
Ru1 Ti1 Ru4 108.44(3) 7_455 . ?
Ru1 Ti1 Ru4 59.65(3) . . ?
B1 Ti1 Ru4 46.10(17) 1_556 . ?
B1 Ti1 Ru4 109.1(2) 7_455 . ?
Ru4 Ti1 Ru4 64.17(5) 7_455 . ?
Ru1 Ti1 Ru4 108.44(3) 1_556 7_456 ?
Ru1 Ti1 Ru4 59.65(3) 7_456 7_456 ?
Ru1 Ti1 Ru4 94.79(3) 7_455 7_456 ?
Ru1 Ti1 Ru4 154.86(9) . 7_456 ?
B1 Ti1 Ru4 109.1(2) 1_556 7_456 ?
B1 Ti1 Ru4 46.10(17) 7_455 7_456 ?
Ru4 Ti1 Ru4 63.78(5) 7_455 7_456 ?
Ru4 Ti1 Ru4 97.03(9) . 7_456 ?
Ru1 Ti1 Ru4 59.65(3) 1_556 1_556 ?
Ru1 Ti1 Ru4 108.44(3) 7_456 1_556 ?
Ru1 Ti1 Ru4 154.86(9) 7_455 1_556 ?
Ru1 Ti1 Ru4 94.79(3) . 1_556 ?
B1 Ti1 Ru4 46.10(17) 1_556 1_556 ?
B1 Ti1 Ru4 109.1(2) 7_455 1_556 ?
Ru4 Ti1 Ru4 97.03(9) 7_455 1_556 ?
Ru4 Ti1 Ru4 63.78(5) . 1_556 ?
Ru4 Ti1 Ru4 64.17(5) 7_456 1_556 ?
Ru1 Ti1 Ti1 56.126(16) 1_556 1_556 ?
Ru1 Ti1 Ti1 56.126(16) 7_456 1_556 ?
Ru1 Ti1 Ti1 123.874(16) 7_455 1_556 ?
Ru1 Ti1 Ti1 123.874(16) . 1_556 ?
B1 Ti1 Ti1 90.0 1_556 1_556 ?
B1 Ti1 Ti1 90.0 7_455 1_556 ?
Ru4 Ti1 Ti1 121.89(2) 7_455 1_556 ?
Ru4 Ti1 Ti1 121.89(2) . 1_556 ?
Ru4 Ti1 Ti1 58.11(2) 7_456 1_556 ?
Ru4 Ti1 Ti1 58.11(2) 1_556 1_556 ?
Ru1 Ti1 Ti1 123.874(16) 1_556 1_554 ?
Ru1 Ti1 Ti1 123.874(16) 7_456 1_554 ?
Ru1 Ti1 Ti1 56.126(16) 7_455 1_554 ?
Ru1 Ti1 Ti1 56.126(16) . 1_554 ?
B1 Ti1 Ti1 90.0 1_556 1_554 ?
B1 Ti1 Ti1 90.0 7_455 1_554 ?
Ru4 Ti1 Ti1 58.11(2) 7_455 1_554 ?
Ru4 Ti1 Ti1 58.11(2) . 1_554 ?
Ru4 Ti1 Ti1 121.89(2) 7_456 1_554 ?
Ru4 Ti1 Ti1 121.89(2) 1_556 1_554 ?
Ti1 Ti1 Ti1 180.000(1) 1_556 1_554 ?
Ru5 Ti2 Ru5 180.00(2) 3_656 11_455 ?
Ru5 Ti2 Ru5 70.553(12) 3_656 1_546 ?
Ru5 Ti2 Ru5 109.447(12) 11_455 1_546 ?
Ru5 Ti2 Ru5 70.48(2) 3_656 3_655 ?
Ru5 Ti2 Ru5 109.52(2) 11_455 3_655 ?
Ru5 Ti2 Ru5 109.447(12) 1_546 3_655 ?
Ru5 Ti2 Ru5 109.447(12) 3_656 1_545 ?
Ru5 Ti2 Ru5 70.553(12) 11_455 1_545 ?
Ru5 Ti2 Ru5 70.48(2) 1_546 1_545 ?
Ru5 Ti2 Ru5 70.553(12) 3_655 1_545 ?
Ru5 Ti2 Ru5 109.447(12) 3_656 9_565 ?
Ru5 Ti2 Ru5 70.553(12) 11_455 9_565 ?
Ru5 Ti2 Ru5 180.00(4) 1_546 9_565 ?
Ru5 Ti2 Ru5 70.553(12) 3_655 9_565 ?
Ru5 Ti2 Ru5 109.52(2) 1_545 9_565 ?
Ru5 Ti2 Ru5 109.52(2) 3_656 11_456 ?
Ru5 Ti2 Ru5 70.48(2) 11_455 11_456 ?
Ru5 Ti2 Ru5 70.553(12) 1_546 11_456 ?
Ru5 Ti2 Ru5 180.00(4) 3_655 11_456 ?
Ru5 Ti2 Ru5 109.447(12) 1_545 11_456 ?
Ru5 Ti2 Ru5 109.447(12) 9_565 11_456 ?
Ru5 Ti2 Ru5 70.553(12) 3_656 9_566 ?
Ru5 Ti2 Ru5 109.447(12) 11_455 9_566 ?
Ru5 Ti2 Ru5 109.52(2) 1_546 9_566 ?
Ru5 Ti2 Ru5 109.447(12) 3_655 9_566 ?
Ru5 Ti2 Ru5 180.00(4) 1_545 9_566 ?
Ru5 Ti2 Ru5 70.48(2) 9_565 9_566 ?
Ru5 Ti2 Ru5 70.553(12) 11_456 9_566 ?
Ru5 Ti2 Ti2 54.760(12) 3_656 1_556 ?
Ru5 Ti2 Ti2 125.240(12) 11_455 1_556 ?
Ru5 Ti2 Ti2 54.760(12) 1_546 1_556 ?
Ru5 Ti2 Ti2 125.240(12) 3_655 1_556 ?
Ru5 Ti2 Ti2 125.240(12) 1_545 1_556 ?
Ru5 Ti2 Ti2 125.240(12) 9_565 1_556 ?
Ru5 Ti2 Ti2 54.760(12) 11_456 1_556 ?
Ru5 Ti2 Ti2 54.760(12) 9_566 1_556 ?
Ru5 Ti2 Ti2 125.240(12) 3_656 1_554 ?
Ru5 Ti2 Ti2 54.760(12) 11_455 1_554 ?
Ru5 Ti2 Ti2 125.240(12) 1_546 1_554 ?
Ru5 Ti2 Ti2 54.760(12) 3_655 1_554 ?
Ru5 Ti2 Ti2 54.760(12) 1_545 1_554 ?
Ru5 Ti2 Ti2 54.760(12) 9_565 1_554 ?
Ru5 Ti2 Ti2 125.240(12) 11_456 1_554 ?
Ru5 Ti2 Ti2 125.240(12) 9_566 1_554 ?
Ti2 Ti2 Ti2 180.0 1_556 1_554 ?
Ru5 Ti2 Ti3 125.94(3) 3_656 9_556 ?
Ru5 Ti2 Ti3 54.06(3) 11_455 9_556 ?
Ru5 Ti2 Ti3 124.61(3) 1_546 9_556 ?
Ru5 Ti2 Ti3 125.94(3) 3_655 9_556 ?
Ru5 Ti2 Ti3 124.61(3) 1_545 9_556 ?
Ru5 Ti2 Ti3 55.39(3) 9_565 9_556 ?
Ru5 Ti2 Ti3 54.06(3) 11_456 9_556 ?
Ru5 Ti2 Ti3 55.39(3) 9_566 9_556 ?
Ti2 Ti2 Ti3 90.0 1_556 9_556 ?
Ti2 Ti2 Ti3 90.0 1_554 9_556 ?
Ru5 Ti2 Ti3 124.61(3) 3_656 11_556 ?
Ru5 Ti2 Ti3 55.39(3) 11_455 11_556 ?
Ru5 Ti2 Ti3 54.06(3) 1_546 11_556 ?
Ru5 Ti2 Ti3 124.61(3) 3_655 11_556 ?
Ru5 Ti2 Ti3 54.06(3) 1_545 11_556 ?
Ru5 Ti2 Ti3 125.94(3) 9_565 11_556 ?
Ru5 Ti2 Ti3 55.39(3) 11_456 11_556 ?
Ru5 Ti2 Ti3 125.94(3) 9_566 11_556 ?
Ti2 Ti2 Ti3 90.0 1_556 11_556 ?
Ti2 Ti2 Ti3 90.0 1_554 11_556 ?
Ti3 Ti2 Ti3 90.0 9_556 11_556 ?
B1 Ti3 Ru5 46.88(17) 3_656 3_655 ?
B1 Ti3 Ru5 46.88(17) 3_656 3_656 ?
Ru5 Ti3 Ru5 64.75(4) 3_655 3_656 ?
B1 Ti3 Ru1 147.50(3) 3_656 1_545 ?
Ru5 Ti3 Ru1 108.39(3) 3_655 1_545 ?
Ru5 Ti3 Ru1 152.67(8) 3_656 1_545 ?
B1 Ti3 Ru1 147.50(3) 3_656 1_546 ?
Ru5 Ti3 Ru1 152.67(8) 3_655 1_546 ?
Ru5 Ti3 Ru1 108.39(3) 3_656 1_546 ?
Ru1 Ti3 Ru1 64.67(4) 1_545 1_546 ?
B1 Ti3 Ru4 46.95(17) 3_656 3_656 ?
Ru5 Ti3 Ru4 93.83(6) 3_655 3_656 ?
Ru5 Ti3 Ru4 59.88(4) 3_656 3_656 ?
Ru1 Ti3 Ru4 146.50(8) 1_545 3_656 ?
Ru1 Ti3 Ru4 105.42(3) 1_546 3_656 ?
B1 Ti3 Ru4 46.95(17) 3_656 3_655 ?
Ru5 Ti3 Ru4 59.88(4) 3_655 3_655 ?
Ru5 Ti3 Ru4 93.83(6) 3_656 3_655 ?
Ru1 Ti3 Ru4 105.42(3) 1_545 3_655 ?
Ru1 Ti3 Ru4 146.50(8) 1_546 3_655 ?
Ru4 Ti3 Ru4 64.14(5) 3_656 3_655 ?
B1 Ti3 Ru5 109.8(2) 3_656 1_545 ?
Ru5 Ti3 Ru5 64.05(4) 3_655 1_545 ?
Ru5 Ti3 Ru5 97.13(6) 3_656 1_545 ?
Ru1 Ti3 Ru5 58.31(4) 1_545 1_545 ?
Ru1 Ti3 Ru5 92.04(6) 1_546 1_545 ?
Ru4 Ti3 Ru5 154.36(7) 3_656 1_545 ?
Ru4 Ti3 Ru5 110.16(3) 3_655 1_545 ?
B1 Ti3 Ru5 109.8(2) 3_656 1_546 ?
Ru5 Ti3 Ru5 97.13(6) 3_655 1_546 ?
Ru5 Ti3 Ru5 64.05(4) 3_656 1_546 ?
Ru1 Ti3 Ru5 92.04(6) 1_545 1_546 ?
Ru1 Ti3 Ru5 58.31(4) 1_546 1_546 ?
Ru4 Ti3 Ru5 110.16(3) 3_656 1_546 ?
Ru4 Ti3 Ru5 154.36(7) 3_655 1_546 ?
Ru5 Ti3 Ru5 63.26(4) 1_545 1_546 ?
B1 Ti3 Ru3 106.5(2) 3_656 1_556 ?
Ru5 Ti3 Ru3 150.62(8) 3_655 1_556 ?
Ru5 Ti3 Ru3 108.47(3) 3_656 1_556 ?
Ru1 Ti3 Ru3 89.80(6) 1_545 1_556 ?
Ru1 Ti3 Ru3 56.12(4) 1_546 1_556 ?
Ru4 Ti3 Ru3 60.87(4) 3_656 1_556 ?
Ru4 Ti3 Ru3 93.62(6) 3_655 1_556 ?
Ru5 Ti3 Ru3 143.77(7) 1_545 1_556 ?
Ru5 Ti3 Ru3 105.28(3) 1_546 1_556 ?
B1 Ti3 Ru3 106.5(2) 3_656 . ?
Ru5 Ti3 Ru3 108.47(3) 3_655 . ?
Ru5 Ti3 Ru3 150.62(8) 3_656 . ?
Ru1 Ti3 Ru3 56.12(4) 1_545 . ?
Ru1 Ti3 Ru3 89.80(6) 1_546 . ?
Ru4 Ti3 Ru3 93.62(6) 3_656 . ?
Ru4 Ti3 Ru3 60.87(4) 3_655 . ?
Ru5 Ti3 Ru3 105.28(3) 1_545 . ?
Ru5 Ti3 Ru3 143.77(7) 1_546 . ?
Ru3 Ti3 Ru3 62.37(4) 1_556 . ?
B1 Ti3 Ti3 90.0 3_656 1_556 ?
Ru5 Ti3 Ti3 122.38(2) 3_655 1_556 ?
Ru5 Ti3 Ti3 57.62(2) 3_656 1_556 ?
Ru1 Ti3 Ti3 122.34(2) 1_545 1_556 ?
Ru1 Ti3 Ti3 57.66(2) 1_546 1_556 ?
Ru4 Ti3 Ti3 57.93(2) 3_656 1_556 ?
Ru4 Ti3 Ti3 122.07(2) 3_655 1_556 ?
Ru5 Ti3 Ti3 121.63(2) 1_545 1_556 ?
Ru5 Ti3 Ti3 58.37(2) 1_546 1_556 ?
Ru3 Ti3 Ti3 58.82(2) 1_556 1_556 ?
Ru3 Ti3 Ti3 121.18(2) . 1_556 ?
Ru4 Ti4 Ru4 112.79(10) 5_546 3_655 ?
Ru4 Ti4 Ru4 71.93(5) 5_546 5_545 ?
Ru4 Ti4 Ru4 72.39(6) 3_655 5_545 ?
Ru4 Ti4 Ru4 72.39(6) 5_546 3_656 ?
Ru4 Ti4 Ru4 71.93(5) 3_655 3_656 ?
Ru4 Ti4 Ru4 112.79(10) 5_545 3_656 ?
Ru4 Ti4 Ru3 68.41(2) 5_546 15_666 ?
Ru4 Ti4 Ru3 178.77(10) 3_655 15_666 ?
Ru4 Ti4 Ru3 108.01(2) 5_545 15_666 ?
Ru4 Ti4 Ru3 108.830(19) 3_656 15_666 ?
Ru4 Ti4 Ru3 178.77(10) 5_546 . ?
Ru4 Ti4 Ru3 68.41(2) 3_655 . ?
Ru4 Ti4 Ru3 108.830(19) 5_545 . ?
Ru4 Ti4 Ru3 108.01(2) 3_656 . ?
Ru3 Ti4 Ru3 110.38(10) 15_666 . ?
Ru4 Ti4 Ru3 108.01(2) 5_546 15_665 ?
Ru4 Ti4 Ru3 108.830(19) 3_655 15_665 ?
Ru4 Ti4 Ru3 68.41(2) 5_545 15_665 ?
Ru4 Ti4 Ru3 178.77(10) 3_656 15_665 ?
Ru3 Ti4 Ru3 70.39(5) 15_666 15_665 ?
Ru3 Ti4 Ru3 71.57(6) . 15_665 ?
Ru4 Ti4 Ru3 108.830(19) 5_546 1_556 ?
Ru4 Ti4 Ru3 108.01(2) 3_655 1_556 ?
Ru4 Ti4 Ru3 178.77(10) 5_545 1_556 ?
Ru4 Ti4 Ru3 68.41(2) 3_656 1_556 ?
Ru3 Ti4 Ru3 71.57(6) 15_666 1_556 ?
Ru3 Ti4 Ru3 70.39(5) . 1_556 ?
Ru3 Ti4 Ru3 110.38(10) 15_665 1_556 ?
Ru4 Ti4 Ti4 54.03(3) 5_546 1_556 ?
Ru4 Ti4 Ti4 125.97(3) 3_655 1_556 ?
Ru4 Ti4 Ti4 125.97(3) 5_545 1_556 ?
Ru4 Ti4 Ti4 54.03(3) 3_656 1_556 ?
Ru3 Ti4 Ti4 54.81(3) 15_666 1_556 ?
Ru3 Ti4 Ti4 125.19(3) . 1_556 ?
Ru3 Ti4 Ti4 125.19(3) 15_665 1_556 ?
Ru3 Ti4 Ti4 54.81(3) 1_556 1_556 ?
Ru4 Ti4 Ti4 125.97(3) 5_546 1_554 ?
Ru4 Ti4 Ti4 54.03(3) 3_655 1_554 ?
Ru4 Ti4 Ti4 54.03(3) 5_545 1_554 ?
Ru4 Ti4 Ti4 125.97(3) 3_656 1_554 ?
Ru3 Ti4 Ti4 125.19(3) 15_666 1_554 ?
Ru3 Ti4 Ti4 54.81(3) . 1_554 ?
Ru3 Ti4 Ti4 54.81(3) 15_665 1_554 ?
Ru3 Ti4 Ti4 125.19(3) 1_556 1_554 ?
Ti4 Ti4 Ti4 180.00(14) 1_556 1_554 ?
Ru4 Ti4 Fe 123.60(5) 5_546 1_545 ?
Ru4 Ti4 Fe 123.60(5) 3_655 1_545 ?
Ru4 Ti4 Fe 123.60(5) 5_545 1_545 ?
Ru4 Ti4 Fe 123.60(5) 3_656 1_545 ?
Ru3 Ti4 Fe 55.19(5) 15_666 1_545 ?
Ru3 Ti4 Fe 55.19(5) . 1_545 ?
Ru3 Ti4 Fe 55.19(5) 15_665 1_545 ?
Ru3 Ti4 Fe 55.19(5) 1_556 1_545 ?
Ti4 Ti4 Fe 90.0 1_556 1_545 ?
Ti4 Ti4 Fe 90.0 1_554 1_545 ?
Ru4 Ti4 Ti1 56.40(5) 5_546 3_655 ?
Ru4 Ti4 Ti1 56.40(5) 3_655 3_655 ?
Ru4 Ti4 Ti1 56.40(5) 5_545 3_655 ?
Ru4 Ti4 Ti1 56.40(5) 3_656 3_655 ?
Ru3 Ti4 Ti1 124.81(5) 15_666 3_655 ?
Ru3 Ti4 Ti1 124.81(5) . 3_655 ?
Ru3 Ti4 Ti1 124.81(5) 15_665 3_655 ?
Ru3 Ti4 Ti1 124.81(5) 1_556 3_655 ?
Ti4 Ti4 Ti1 90.0 1_556 3_655 ?
Ti4 Ti4 Ti1 90.0 1_554 3_655 ?
Fe Ti4 Ti1 180.00(4) 1_545 3_655 ?
Fe Fe B2 97.7(3) 9_676 . ?
Fe Fe B2 97.7(3) 9_676 15_775 ?
B2 Fe B2 164.7(6) . 15_775 ?
Fe Fe Ru3 126.47(4) 9_676 1_565 ?
B2 Fe Ru3 49.69(19) . 1_565 ?
B2 Fe Ru3 119.2(2) 15_775 1_565 ?
Fe Fe Ru3 126.47(4) 9_676 15_676 ?
B2 Fe Ru3 119.2(2) . 15_676 ?
B2 Fe Ru3 49.69(19) 15_775 15_676 ?
Ru3 Fe Ru3 107.07(8) 1_565 15_676 ?
Fe Fe Ru3 126.47(4) 9_676 1_566 ?
B2 Fe Ru3 49.69(19) . 1_566 ?
B2 Fe Ru3 119.2(2) 15_775 1_566 ?
Ru3 Fe Ru3 68.74(4) 1_565 1_566 ?
Ru3 Fe Ru3 69.89(5) 15_676 1_566 ?
Fe Fe Ru3 126.47(4) 9_676 15_675 ?
B2 Fe Ru3 119.2(2) . 15_675 ?
B2 Fe Ru3 49.69(19) 15_775 15_675 ?
Ru3 Fe Ru3 69.89(5) 1_565 15_675 ?
Ru3 Fe Ru3 68.74(4) 15_676 15_675 ?
Ru3 Fe Ru3 107.07(8) 1_566 15_675 ?
Fe Fe Ru2 64.17(4) 9_676 9_676 ?
B2 Fe Ru2 141.86(16) . 9_676 ?
B2 Fe Ru2 47.9(2) 15_775 9_676 ?
Ru3 Fe Ru2 166.72(6) 1_565 9_676 ?
Ru3 Fe Ru2 62.918(18) 15_676 9_676 ?
Ru3 Fe Ru2 112.745(19) 1_566 9_676 ?
Ru3 Fe Ru2 97.55(2) 15_675 9_676 ?
Fe Fe Ru2 64.17(4) 9_676 . ?
B2 Fe Ru2 47.9(2) . . ?
B2 Fe Ru2 141.86(16) 15_775 . ?
Ru3 Fe Ru2 62.918(18) 1_565 . ?
Ru3 Fe Ru2 166.72(6) 15_676 . ?
Ru3 Fe Ru2 97.55(2) 1_566 . ?
Ru3 Fe Ru2 112.745(19) 15_675 . ?
Ru2 Fe Ru2 128.33(8) 9_676 . ?
Fe Fe Ru2 64.17(4) 9_676 1_556 ?
B2 Fe Ru2 47.9(2) . 1_556 ?
B2 Fe Ru2 141.86(16) 15_775 1_556 ?
Ru3 Fe Ru2 97.55(2) 1_565 1_556 ?
Ru3 Fe Ru2 112.745(19) 15_676 1_556 ?
Ru3 Fe Ru2 62.918(18) 1_566 1_556 ?
Ru3 Fe Ru2 166.72(6) 15_675 1_556 ?
Ru2 Fe Ru2 94.60(5) 9_676 1_556 ?
Ru2 Fe Ru2 62.61(3) . 1_556 ?
Fe Fe Ru2 64.17(4) 9_676 9_675 ?
B2 Fe Ru2 141.86(16) . 9_675 ?
B2 Fe Ru2 47.9(2) 15_775 9_675 ?
Ru3 Fe Ru2 112.745(19) 1_565 9_675 ?
Ru3 Fe Ru2 97.55(2) 15_676 9_675 ?
Ru3 Fe Ru2 166.72(6) 1_566 9_675 ?
Ru3 Fe Ru2 62.918(18) 15_675 9_675 ?
Ru2 Fe Ru2 62.61(3) 9_676 9_675 ?
Ru2 Fe Ru2 94.60(5) . 9_675 ?
Ru2 Fe Ru2 128.33(8) 1_556 9_675 ?
Fe Fe Fe 90.0 9_676 1_554 ?
B2 Fe Fe 90.0 . 1_554 ?
B2 Fe Fe 90.0 15_775 1_554 ?
Ru3 Fe Fe 55.63(2) 1_565 1_554 ?
Ru3 Fe Fe 124.37(2) 15_676 1_554 ?
Ru3 Fe Fe 124.37(2) 1_566 1_554 ?
Ru3 Fe Fe 55.63(2) 15_675 1_554 ?
Ru2 Fe Fe 121.304(16) 9_676 1_554 ?
Ru2 Fe Fe 58.696(16) . 1_554 ?
Ru2 Fe Fe 121.304(16) 1_556 1_554 ?
Ru2 Fe Fe 58.696(16) 9_675 1_554 ?
Ru5 B1 Ru5 87.5(4) 1_554 . ?
Ru5 B1 Ru4 80.39(17) 1_554 1_554 ?
Ru5 B1 Ru4 141.6(6) . 1_554 ?
Ru5 B1 Ru4 141.6(6) 1_554 . ?
Ru5 B1 Ru4 80.39(17) . . ?
Ru4 B1 Ru4 86.8(4) 1_554 . ?
Ru5 B1 Ru1 135.5(6) 1_554 . ?
Ru5 B1 Ru1 77.60(18) . . ?
Ru4 B1 Ru1 134.4(5) 1_554 . ?
Ru4 B1 Ru1 77.11(18) . . ?
Ru5 B1 Ru1 77.60(18) 1_554 1_554 ?
Ru5 B1 Ru1 135.5(6) . 1_554 ?
Ru4 B1 Ru1 77.11(18) 1_554 1_554 ?
Ru4 B1 Ru1 134.4(5) . 1_554 ?
Ru1 B1 Ru1 84.3(4) . 1_554 ?
Ru5 B1 Ti3 70.6(3) 1_554 11_565 ?
Ru5 B1 Ti3 70.6(3) . 11_565 ?
Ru4 B1 Ti3 71.1(3) 1_554 11_565 ?
Ru4 B1 Ti3 71.1(3) . 11_565 ?
Ru1 B1 Ti3 137.9(2) . 11_565 ?
Ru1 B1 Ti3 137.9(2) 1_554 11_565 ?
Ru5 B1 Ti1 135.7(2) 1_554 1_554 ?
Ru5 B1 Ti1 135.7(2) . 1_554 ?
Ru4 B1 Ti1 69.6(3) 1_554 1_554 ?
Ru4 B1 Ti1 69.6(3) . 1_554 ?
Ru1 B1 Ti1 64.8(3) . 1_554 ?
Ru1 B1 Ti1 64.8(3) 1_554 1_554 ?
Ti3 B1 Ti1 124.8(4) 11_565 1_554 ?
Ru3 B2 Ru3 86.2(4) 1_566 1_565 ?
Ru3 B2 Ru1 131.7(6) 1_566 . ?
Ru3 B2 Ru1 75.0(2) 1_565 . ?
Ru3 B2 Ru1 75.0(2) 1_566 1_556 ?
Ru3 B2 Ru1 131.7(6) 1_565 1_556 ?
Ru1 B2 Ru1 85.2(4) . 1_556 ?
Ru3 B2 Ru2 81.85(18) 1_566 1_556 ?
Ru3 B2 Ru2 141.0(6) 1_565 1_556 ?
Ru1 B2 Ru2 137.9(6) . 1_556 ?
Ru1 B2 Ru2 80.3(2) 1_556 1_556 ?
Ru3 B2 Ru2 141.0(6) 1_566 . ?
Ru3 B2 Ru2 81.85(18) 1_565 . ?
Ru1 B2 Ru2 80.3(2) . . ?
Ru1 B2 Ru2 137.9(6) 1_556 . ?
Ru2 B2 Ru2 84.4(4) 1_556 . ?
Ru3 B2 Fe 67.4(3) 1_566 . ?
Ru3 B2 Fe 67.4(3) 1_565 . ?
Ru1 B2 Fe 136.5(2) . . ?
Ru1 B2 Fe 136.5(2) 1_556 . ?
Ru2 B2 Fe 73.7(3) 1_556 . ?
Ru2 B2 Fe 73.7(3) . . ?
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
Ru1 B2 2.192(9) . ?
Ru1 B2 2.192(9) 1_554 ?
Ru1 B1 2.211(8) . ?
Ru1 B1 2.211(8) 1_556 ?
Ru1 Ru3 2.6544(12) 1_565 ?
Ru1 Ti1 2.6623(11) 1_554 ?
Ru1 Ti1 2.6623(11) . ?
Ru1 Ru4 2.7241(12) . ?
Ru1 Ru5 2.7302(11) . ?
Ru1 Ti3 2.7743(17) 1_565 ?
Ru1 Ti3 2.7743(17) 1_564 ?
Ru1 Ru2 2.8383(12) . ?
Ru2 B2 2.208(9) 7_455 ?
Ru2 B2 2.208(9) 7_456 ?
Ru2 B2 2.208(9) 1_554 ?
Ru2 B2 2.208(9) . ?
Ru2 Ru1 2.8383(12) 7_455 ?
Ru2 Fe 2.8560(12) . ?
Ru2 Fe 2.8560(12) 9_676 ?
Ru2 Fe 2.8560(12) 1_554 ?
Ru2 Fe 2.8560(12) 9_675 ?
Ru2 Ru3 2.8689(9) 7 ?
Ru2 Ru3 2.8689(9) 1_565 ?
Ru3 B2 2.171(9) 1_544 ?
Ru3 B2 2.171(9) 1_545 ?
Ru3 Ti4 2.5746(16) . ?
Ru3 Ti4 2.5746(16) 1_554 ?
Ru3 Fe 2.6285(14) 1_545 ?
Ru3 Fe 2.6285(14) 1_544 ?
Ru3 Ru1 2.6544(12) 1_545 ?
Ru3 Ti3 2.8659(17) 1_554 ?
Ru3 Ti3 2.8659(17) . ?
Ru3 Ru4 2.8681(12) 3_655 ?
Ru3 Ru2 2.8689(9) 1_545 ?
Ru3 Ru3 2.9678(5) 1_556 ?
Ru4 B1 2.159(8) 1_556 ?
Ru4 B1 2.159(8) . ?
Ru4 Ti4 2.5265(16) 11_565 ?
Ru4 Ti4 2.5265(16) 11_566 ?
Ru4 Ru5 2.7779(12) . ?
Ru4 Ti3 2.7946(17) 11_565 ?
Ru4 Ti3 2.7946(17) 11_566 ?
Ru4 Ti1 2.8090(19) . ?
Ru4 Ti1 2.8090(19) 1_554 ?
Ru4 Ru3 2.8681(12) 11_565 ?
Ru4 Ru4 2.9678(5) 1_554 ?
Ru5 B1 2.145(8) 1_556 ?
Ru5 B1 2.145(8) . ?
Ru5 Ti2 2.5718(7) 1_564 ?
Ru5 Ti2 2.5718(7) 1_565 ?
Ru5 Ti3 2.7712(17) 11_565 ?
Ru5 Ti3 2.7712(17) 11_566 ?
Ru5 Ti3 2.8294(18) 1_565 ?
Ru5 Ti3 2.8294(18) 1_564 ?
Ru5 Ru5 2.9678(5) 1_556 ?
Ru5 Ru5 2.9678(5) 1_554 ?
Ti1 Ru1 2.6623(11) 1_556 ?
Ti1 Ru1 2.6623(11) 7_456 ?
Ti1 Ru1 2.6623(11) 7_455 ?
Ti1 B1 2.700(11) 1_556 ?
Ti1 B1 2.700(11) 7_455 ?
Ti1 Ru4 2.8090(19) 7_455 ?
Ti1 Ru4 2.8090(19) 7_456 ?
Ti1 Ru4 2.8090(19) 1_556 ?
Ti1 Ti1 2.9678(5) 1_556 ?
Ti1 Ti1 2.9678(5) 1_554 ?
Ti2 Ru5 2.5718(7) 3_656 ?
Ti2 Ru5 2.5718(7) 11_455 ?
Ti2 Ru5 2.5718(7) 1_546 ?
Ti2 Ru5 2.5718(7) 3_655 ?
Ti2 Ru5 2.5718(7) 1_545 ?
Ti2 Ru5 2.5718(7) 9_565 ?
Ti2 Ru5 2.5718(7) 11_456 ?
Ti2 Ru5 2.5718(7) 9_566 ?
Ti2 Ti2 2.9678(5) 1_556 ?
Ti2 Ti2 2.9678(5) 1_554 ?
Ti2 Ti3 3.3381(19) 9_556 ?
Ti2 Ti3 3.3381(19) 11_556 ?
Ti3 B1 2.608(11) 3_656 ?
Ti3 Ru5 2.7712(17) 3_655 ?
Ti3 Ru5 2.7712(17) 3_656 ?
Ti3 Ru1 2.7743(17) 1_545 ?
Ti3 Ru1 2.7743(17) 1_546 ?
Ti3 Ru4 2.7946(17) 3_656 ?
Ti3 Ru4 2.7946(17) 3_655 ?
Ti3 Ru5 2.8294(17) 1_545 ?
Ti3 Ru5 2.8294(17) 1_546 ?
Ti3 Ru3 2.8659(17) 1_556 ?
Ti3 Ti3 2.9678(5) 1_556 ?
Ti4 Ru4 2.5265(16) 5_546 ?
Ti4 Ru4 2.5265(16) 3_655 ?
Ti4 Ru4 2.5265(16) 5_545 ?
Ti4 Ru4 2.5265(16) 3_656 ?
Ti4 Ru3 2.5746(16) 15_666 ?
Ti4 Ru3 2.5746(16) 15_665 ?
Ti4 Ru3 2.5746(16) 1_556 ?
Ti4 Ti4 2.9678(5) 1_556 ?
Ti4 Ti4 2.9678(5) 1_554 ?
Ti4 Fe 3.032(3) 1_545 ?
Ti4 Ti1 3.259(4) 3_655 ?
Fe Fe 2.489(4) 9_676 ?
Fe B2 2.534(12) . ?
Fe B2 2.534(12) 15_775 ?
Fe Ru3 2.6285(14) 1_565 ?
Fe Ru3 2.6285(14) 15_676 ?
Fe Ru3 2.6285(14) 1_566 ?
Fe Ru3 2.6285(14) 15_675 ?
Fe Ru2 2.8560(12) 9_676 ?
Fe Ru2 2.8560(12) 1_556 ?
Fe Ru2 2.8560(12) 9_675 ?
Fe Fe 2.9678(5) 1_554 ?
B1 Ru5 2.145(8) 1_554 ?
B1 Ru4 2.159(8) 1_554 ?
B1 Ru1 2.211(8) 1_554 ?
B1 Ti3 2.608(11) 11_565 ?
B1 Ti1 2.700(11) 1_554 ?
B2 Ru3 2.171(9) 1_566 ?
B2 Ru3 2.171(9) 1_565 ?
B2 Ru1 2.192(9) 1_556 ?
B2 Ru2 2.208(9) 1_556 ?
