#------------------------------------------------------------------------------
#$Date: 2023-11-28 09:31:58 +0200 (Tue, 28 Nov 2023) $
#$Revision: 287825 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/23/2312359.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312359
loop_
_publ_author_name
'Kitahara, Koichi'
'Takakura, Hiroyuki'
'Iwasaki, Yutaka'
'Kimura, Kaoru'
_publ_section_title
;
 Crystal structures of five compounds in the aluminium-ruthenium-silicon
 system.
;
_journal_coeditor_code           WM5690
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              946
_journal_page_last               951
_journal_paper_doi               10.1107/S2056989023008393
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '\\sim Ru9 (Al0.70 Si0.30)32'
_chemical_formula_moiety         'Al22.40 Ru9 Si9.60'
_chemical_formula_sum            'Al22.4 Ru9 Si9.6'
_chemical_formula_weight         1783.65
_chemical_name_systematic
;
Docosaaluminium nonaruthenium decasilicon
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.4479(2)
_cell_length_b                   10.4479(2)
_cell_length_c                   19.6774(4)
_cell_measurement_reflns_used    10605
_cell_measurement_temperature    295.9(2)
_cell_measurement_theta_max      30.7050
_cell_measurement_theta_min      3.8570
_cell_volume                     1860.19(6)
_computing_cell_refinement
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_data_collection
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_data_reduction
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_molecular_graphics
;
VESTA (Momma & Izumi, 2011)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      295.9(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_unetI/netI     0.0142
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            14255
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.781
_diffrn_reflns_theta_min         3.901
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.591
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlisPro; Matsumoto et al., 2021)
;
_exptl_crystal_colour            'metallic light silver'
_exptl_crystal_density_diffrn    4.777
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2436.84
_exptl_crystal_size_max          0.031
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.026
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.526
_refine_ls_extinction_coef       0.000262(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2019/3 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         1193
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0144
_refine_ls_R_factor_gt           0.0126
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0111P)²+0.5812P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0232
_refine_ls_wR_factor_ref         0.0237
_reflns_number_gt                1127
_reflns_number_total             1193
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            wm5690sup1.cif
_cod_data_source_block           II
_cod_original_cell_volume        1860.17(7)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Al22.40 Ru9 Si9.60'
_cod_database_code               2312359
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.000000 0.000000 0.500000 0.00463(7) Uani d 1 . .
Ru Ru2 0.000000 0.000000 0.28833(2) 0.00519(6) Uani d 1 . .
Ru Ru3 0.24368(2) 0.24916(2) 0.09171(2) 0.00467(5) Uani d 1 . .
Al Al4 0.000000 0.000000 0.12554(5) 0.01068(17) Uani d 1 . .
Si Si5 0.06845(5) 0.25394(5) 0.29541(2) 0.00880(9) Uani d 1 . .
Al Al6 0.22915(5) 0.16512(5) 0.21432(2) 0.0079(2) Uani d 0.58(4) . .
Si Si6 0.22915(5) 0.16512(5) 0.21432(2) 0.0079(2) Uani d 0.42(4) . .
Al Al7 0.00143(5) 0.21088(5) 0.03958(2) 0.0076(2) Uani d 0.82(4) . .
Si Si7 0.00143(5) 0.21088(5) 0.03958(2) 0.0076(2) Uani d 0.18(4) . .
Al Al8 0.16504(5) 0.12448(5) 0.39021(2) 0.00948(10) Uani d 1 . .
Al Al9 0.12627(6) 0.37148(6) 0.16275(2) 0.01084(11) Uani d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 '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'
Si Si 0.0817 0.0704 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Al8 Ru1 Al8 12_556 3 180.0 ?
Al8 Ru1 Al8 12_556 10_556 60.824(17) ?
Al8 Ru1 Al8 3 10_556 119.176(17) ?
Al8 Ru1 Al8 12_556 2 119.176(17) ?
Al8 Ru1 Al8 3 2 60.824(17) ?
Al8 Ru1 Al8 10_556 2 119.176(17) ?
Al8 Ru1 Al8 12_556 11_556 60.824(17) ?
Al8 Ru1 Al8 3 11_556 119.176(17) ?
Al8 Ru1 Al8 10_556 11_556 60.824(17) ?
Al8 Ru1 Al8 2 11_556 180.000(12) ?
Al8 Ru1 Al8 12_556 . 119.177(17) ?
Al8 Ru1 Al8 3 . 60.823(17) ?
Al8 Ru1 Al8 10_556 . 179.999(12) ?
Al8 Ru1 Al8 2 . 60.824(17) ?
Al8 Ru1 Al8 11_556 . 119.176(17) ?
Al8 Ru1 Al9 12_556 17_445 89.014(15) ?
Al8 Ru1 Al9 3 17_445 90.986(15) ?
Al8 Ru1 Al9 10_556 17_445 57.891(14) ?
Al8 Ru1 Al9 2 17_445 61.286(14) ?
Al8 Ru1 Al9 11_556 17_445 118.714(14) ?
Al8 Ru1 Al9 . 17_445 122.110(14) ?
Al8 Ru1 Al9 12_556 5 90.986(15) ?
Al8 Ru1 Al9 3 5 89.014(15) ?
Al8 Ru1 Al9 10_556 5 122.109(14) ?
Al8 Ru1 Al9 2 5 118.714(14) ?
Al8 Ru1 Al9 11_556 5 61.286(14) ?
Al8 Ru1 Al9 . 5 57.890(14) ?
Al9 Ru1 Al9 17_445 5 180.0 ?
Al8 Ru1 Al9 12_556 4_445 122.109(14) ?
Al8 Ru1 Al9 3 4_445 57.891(14) ?
Al8 Ru1 Al9 10_556 4_445 61.285(14) ?
Al8 Ru1 Al9 2 4_445 89.013(15) ?
Al8 Ru1 Al9 11_556 4_445 90.987(15) ?
Al8 Ru1 Al9 . 4_445 118.714(14) ?
Al9 Ru1 Al9 17_445 4_445 60.0770(10) ?
Al9 Ru1 Al9 5 4_445 119.9230(10) ?
Al8 Ru1 Al9 12_556 16 57.891(14) ?
Al8 Ru1 Al9 3 16 122.109(14) ?
Al8 Ru1 Al9 10_556 16 118.715(14) ?
Al8 Ru1 Al9 2 16 90.987(15) ?
Al8 Ru1 Al9 11_556 16 89.013(15) ?
Al8 Ru1 Al9 . 16 61.286(14) ?
Al9 Ru1 Al9 17_445 16 119.9230(10) ?
Al9 Ru1 Al9 5 16 60.0770(10) ?
Al9 Ru1 Al9 4_445 16 180.0 ?
Al8 Ru1 Al9 12_556 18_545 118.713(14) ?
Al8 Ru1 Al9 3 18_545 61.287(14) ?
Al8 Ru1 Al9 10_556 18_545 89.012(15) ?
Al8 Ru1 Al9 2 18_545 122.111(14) ?
Al8 Ru1 Al9 11_556 18_545 57.889(14) ?
Al8 Ru1 Al9 . 18_545 90.987(15) ?
Al9 Ru1 Al9 17_445 18_545 119.9210(10) ?
Al9 Ru1 Al9 5 18_545 60.0790(10) ?
Al9 Ru1 Al9 4_445 18_545 60.0790(10) ?
Al9 Ru1 Al9 16 18_545 119.9210(10) ?
Al8 Ru1 Al9 12_556 6_455 61.287(14) ?
Al8 Ru1 Al9 3 6_455 118.713(14) ?
Al8 Ru1 Al9 10_556 6_455 90.988(15) ?
Al8 Ru1 Al9 2 6_455 57.889(14) ?
Al8 Ru1 Al9 11_556 6_455 122.111(14) ?
Al8 Ru1 Al9 . 6_455 89.013(15) ?
Al9 Ru1 Al9 17_445 6_455 60.0790(10) ?
Al9 Ru1 Al9 5 6_455 119.9210(10) ?
Al9 Ru1 Al9 4_445 6_455 119.9210(10) ?
Al9 Ru1 Al9 16 6_455 60.0790(10) ?
Al9 Ru1 Al9 18_545 6_455 180.0 ?
Si5 Ru2 Si5 3 . 119.661(2) ?
Si5 Ru2 Si5 3 2 119.662(2) ?
Si5 Ru2 Si5 . 2 119.659(2) ?
Si5 Ru2 Al8 3 . 70.202(16) ?
Si5 Ru2 Al8 . . 68.549(15) ?
Si5 Ru2 Al8 2 . 124.453(17) ?
Si5 Ru2 Al8 3 3 68.549(15) ?
Si5 Ru2 Al8 . 3 124.452(17) ?
Si5 Ru2 Al8 2 3 70.202(16) ?
Al8 Ru2 Al8 . 3 64.153(18) ?
Si5 Ru2 Al8 3 2 124.453(17) ?
Si5 Ru2 Al8 . 2 70.202(16) ?
Si5 Ru2 Al8 2 2 68.548(15) ?
Al8 Ru2 Al8 . 2 64.153(18) ?
Al8 Ru2 Al8 3 2 64.152(18) ?
Si5 Ru2 Al6 3 3 68.158(15) ?
Si5 Ru2 Al6 . 3 149.111(17) ?
Si5 Ru2 Al6 2 3 67.213(15) ?
Al8 Ru2 Al6 . 3 135.530(15) ?
Al8 Ru2 Al6 3 3 86.437(15) ?
Al8 Ru2 Al6 2 3 132.991(15) ?
Si5 Ru2 Al6 3 2 149.112(17) ?
Si5 Ru2 Al6 . 2 67.211(15) ?
Si5 Ru2 Al6 2 2 68.157(15) ?
Al8 Ru2 Al6 . 2 132.990(15) ?
Al8 Ru2 Al6 3 2 135.529(15) ?
Al8 Ru2 Al6 2 2 86.436(15) ?
Al6 Ru2 Al6 3 2 91.441(15) ?
Si5 Ru2 Al6 3 . 67.213(15) ?
Si5 Ru2 Al6 . . 68.157(15) ?
Si5 Ru2 Al6 2 . 149.112(17) ?
Al8 Ru2 Al6 . . 86.435(15) ?
Al8 Ru2 Al6 3 . 132.991(15) ?
Al8 Ru2 Al6 2 . 135.529(15) ?
Al6 Ru2 Al6 3 . 91.442(15) ?
Al6 Ru2 Al6 2 . 91.441(15) ?
Si5 Ru3 Al8 15 9_554 65.551(15) ?
Si5 Ru3 Al6 15 . 120.406(15) ?
Al8 Ru3 Al6 9_554 . 124.414(16) ?
Si5 Ru3 Al7 15 . 122.217(15) ?
Al8 Ru3 Al7 9_554 . 73.932(16) ?
Al6 Ru3 Al7 . . 116.122(15) ?
Si5 Ru3 Al9 15 15 68.678(16) ?
Al8 Ru3 Al9 9_554 15 65.586(16) ?
Al6 Ru3 Al9 . 15 67.410(16) ?
Al7 Ru3 Al9 . 15 127.455(16) ?
Si5 Ru3 Al9 15 . 119.665(16) ?
Al8 Ru3 Al9 9_554 . 61.760(16) ?
Al6 Ru3 Al9 . . 72.324(16) ?
Al7 Ru3 Al9 . . 67.560(16) ?
Al9 Ru3 Al9 15 . 64.436(17) ?
Si5 Ru3 Al6 15 13 66.289(14) ?
Al8 Ru3 Al6 9_554 13 127.640(16) ?
Al6 Ru3 Al6 . 13 67.389(17) ?
Al7 Ru3 Al6 . 13 153.459(16) ?
Al9 Ru3 Al6 15 13 78.881(16) ?
Al9 Ru3 Al6 . 13 133.370(16) ?
Si5 Ru3 Al7 15 11 71.465(15) ?
Al8 Ru3 Al7 9_554 11 80.729(15) ?
Al6 Ru3 Al7 . 11 154.440(16) ?
Al7 Ru3 Al7 . 11 62.594(14) ?
Al9 Ru3 Al7 15 11 135.585(16) ?
Al9 Ru3 Al7 . 11 123.870(16) ?
Al6 Ru3 Al7 13 11 102.325(15) ?
Si5 Ru3 Al4 15 . 156.665(16) ?
Al8 Ru3 Al4 9_554 . 133.431(13) ?
Al6 Ru3 Al4 . . 64.05(2) ?
Al7 Ru3 Al4 . . 63.982(15) ?
Al9 Ru3 Al4 15 . 127.93(2) ?
Al9 Ru3 Al4 . . 83.669(15) ?
Al6 Ru3 Al4 13 . 98.593(12) ?
Al7 Ru3 Al4 11 . 96.13(2) ?
Si5 Ru3 Al7 15 3 93.941(15) ?
Al8 Ru3 Al7 9_554 3 141.416(15) ?
Al6 Ru3 Al7 . 3 94.038(15) ?
Al7 Ru3 Al7 . 3 93.18(2) ?
Al9 Ru3 Al7 15 3 139.245(16) ?
Al9 Ru3 Al7 . 3 146.275(16) ?
Al6 Ru3 Al7 13 3 60.377(15) ?
Al7 Ru3 Al7 11 3 61.353(14) ?
Al4 Ru3 Al7 . 3 62.748(15) ?
Ru3 Al4 Ru3 . 2 113.957(15) ?
Ru3 Al4 Ru3 . 3 113.956(15) ?
Ru3 Al4 Ru3 2 3 113.956(15) ?
Ru3 Al4 Al6 . 2 109.230(14) ?
Ru3 Al4 Al6 2 2 55.974(11) ?
Ru3 Al4 Al6 3 2 134.84(2) ?
Ru3 Al4 Al6 . 3 134.84(2) ?
Ru3 Al4 Al6 2 3 109.230(14) ?
Ru3 Al4 Al6 3 3 55.974(11) ?
Al6 Al4 Al6 2 3 84.26(3) ?
Ru3 Al4 Al6 . . 55.973(11) ?
Ru3 Al4 Al6 2 . 134.84(2) ?
Ru3 Al4 Al6 3 . 109.231(14) ?
Al6 Al4 Al6 2 . 84.26(3) ?
Al6 Al4 Al6 3 . 84.26(3) ?
Ru3 Al4 Al7 . . 56.440(13) ?
Ru3 Al4 Al7 2 . 58.708(14) ?
Ru3 Al4 Al7 3 . 127.88(3) ?
Al6 Al4 Al7 2 . 87.091(13) ?
Al6 Al4 Al7 3 . 167.862(14) ?
Al6 Al4 Al7 . . 103.356(14) ?
Ru3 Al4 Al7 . 2 127.88(3) ?
Ru3 Al4 Al7 2 2 56.439(13) ?
Ru3 Al4 Al7 3 2 58.708(14) ?
Al6 Al4 Al7 2 2 103.357(14) ?
Al6 Al4 Al7 3 2 87.091(13) ?
Al6 Al4 Al7 . 2 167.862(14) ?
Al7 Al4 Al7 . 2 86.64(2) ?
Ru3 Al4 Al7 . 3 58.708(14) ?
Ru3 Al4 Al7 2 3 127.88(3) ?
Ru3 Al4 Al7 3 3 56.439(13) ?
Al6 Al4 Al7 2 3 167.862(14) ?
Al6 Al4 Al7 3 3 103.357(14) ?
Al6 Al4 Al7 . 3 87.091(13) ?
Al7 Al4 Al7 . 3 86.64(2) ?
Al7 Al4 Al7 2 3 86.64(2) ?
Ru2 Si5 Si5 . 16 118.81(3) ?
Ru2 Si5 Ru3 . 14_455 119.762(18) ?
Si5 Si5 Ru3 16 14_455 120.64(3) ?
Ru2 Si5 Al8 . 16 167.65(2) ?
Si5 Si5 Al8 16 16 65.93(2) ?
Ru3 Si5 Al8 14_455 16 58.956(14) ?
Ru2 Si5 Al6 . 2 59.969(14) ?
Si5 Si5 Al6 16 2 177.02(3) ?
Ru3 Si5 Al6 14_455 2 60.159(14) ?
Al8 Si5 Al6 16 2 115.87(2) ?
Ru2 Si5 Al8 . . 58.394(14) ?
Si5 Si5 Al8 16 . 61.71(2) ?
Ru3 Si5 Al8 14_455 . 159.94(2) ?
Al8 Si5 Al8 16 . 127.637(19) ?
Al6 Si5 Al8 2 . 116.45(2) ?
Ru2 Si5 Al6 . . 59.434(14) ?
Si5 Si5 Al6 16 . 97.84(3) ?
Ru3 Si5 Al6 14_455 . 119.201(19) ?
Al8 Si5 Al6 16 . 109.51(2) ?
Al6 Si5 Al6 2 . 83.85(2) ?
Al8 Si5 Al6 . . 78.242(18) ?
Ru2 Si5 Al9 . . 108.102(19) ?
Si5 Si5 Al9 16 . 110.55(3) ?
Ru3 Si5 Al9 14_455 . 58.171(14) ?
Al8 Si5 Al9 16 . 60.157(17) ?
Al6 Si5 Al9 2 . 72.378(18) ?
Al8 Si5 Al9 . . 141.66(2) ?
Al6 Si5 Al9 . . 65.278(17) ?
Ru2 Si5 Al8 . 2 57.488(14) ?
Si5 Si5 Al8 16 2 99.22(3) ?
Ru3 Si5 Al8 14_455 2 103.669(19) ?
Al8 Si5 Al8 16 2 134.55(2) ?
Al6 Si5 Al8 2 2 77.825(18) ?
Al8 Si5 Al8 . 2 57.48(2) ?
Al6 Si5 Al8 . 2 115.13(2) ?
Al9 Si5 Al8 . 2 150.02(2) ?
Ru3 Al6 Ru2 . . 129.707(19) ?
Ru3 Al6 Ru3 . 13 112.612(17) ?
Ru2 Al6 Ru3 . 13 106.091(16) ?
Ru3 Al6 Al7 . 15 116.69(2) ?
Ru2 Al6 Al7 . 15 109.655(19) ?
Ru3 Al6 Al7 13 15 60.806(14) ?
Ru3 Al6 Si5 . 3 143.99(2) ?
Ru2 Al6 Si5 . 3 52.818(13) ?
Ru3 Al6 Si5 13 3 53.554(13) ?
Al7 Al6 Si5 15 3 86.919(19) ?
Ru3 Al6 Al4 . . 59.976(17) ?
Ru2 Al6 Al4 . . 73.471(19) ?
Ru3 Al6 Al4 13 . 119.885(18) ?
Al7 Al6 Al4 15 . 176.66(3) ?
Si5 Al6 Al4 3 . 96.03(2) ?
Ru3 Al6 Si5 . . 111.671(19) ?
Ru2 Al6 Si5 . . 52.410(13) ?
Ru3 Al6 Si5 13 . 133.10(2) ?
Al7 Al6 Si5 15 . 85.969(18) ?
Si5 Al6 Si5 3 . 95.90(2) ?
Al4 Al6 Si5 . . 95.257(19) ?
Ru3 Al6 Al9 . 15 56.713(13) ?
Ru2 Al6 Al9 . 15 144.13(2) ?
Ru3 Al6 Al9 13 15 99.795(18) ?
Al7 Al6 Al9 15 15 62.748(17) ?
Si5 Al6 Al9 3 15 148.12(2) ?
Al4 Al6 Al9 . 15 114.07(2) ?
Si5 Al6 Al9 . 15 91.741(19) ?
Ru3 Al6 Al6 . 13 57.391(15) ?
Ru2 Al6 Al6 . 13 145.22(3) ?
Ru3 Al6 Al6 13 13 55.221(15) ?
Al7 Al6 Al6 15 13 87.39(2) ?
Si5 Al6 Al6 3 13 100.23(2) ?
Al4 Al6 Al6 . 13 90.54(2) ?
Si5 Al6 Al6 . 13 162.19(3) ?
Al9 Al6 Al6 15 13 70.54(2) ?
Ru3 Al7 Ru3 . 12 117.649(18) ?
Ru3 Al7 Al6 . 14_455 116.63(2) ?
Ru3 Al7 Al6 12 14_455 119.15(2) ?
Ru3 Al7 Ru3 . 2 116.862(18) ?
Ru3 Al7 Ru3 12 2 114.346(17) ?
Al6 Al7 Ru3 14_455 2 58.818(14) ?
Ru3 Al7 Al7 . 12 134.381(13) ?
Ru3 Al7 Al7 12 12 57.944(19) ?
Al6 Al7 Al7 14_455 12 99.12(2) ?
Ru3 Al7 Al7 2 12 58.365(12) ?
Ru3 Al7 Al7 . 11 59.461(12) ?
Ru3 Al7 Al7 12 11 60.283(19) ?
Al6 Al7 Al7 14_455 11 168.67(2) ?
Ru3 Al7 Al7 2 11 132.432(13) ?
Al7 Al7 Al7 12 11 89.88(2) ?
Ru3 Al7 Al4 . . 59.578(10) ?
Ru3 Al7 Al4 12 . 135.92(2) ?
Al6 Al7 Al4 14_455 . 94.86(2) ?
Ru3 Al7 Al4 2 . 58.545(10) ?
Al7 Al7 Al4 12 . 91.721(15) ?
Al7 Al7 Al4 11 . 91.721(15) ?
Ru3 Al7 Al9 . . 56.394(14) ?
Ru3 Al7 Al9 12 . 142.61(2) ?
Al6 Al7 Al9 14_455 . 61.810(17) ?
Ru3 Al7 Al9 2 . 97.917(17) ?
Al7 Al7 Al9 12 . 156.03(3) ?
Al7 Al7 Al9 11 . 111.07(2) ?
Al4 Al7 Al9 . . 76.65(2) ?
Ru3 Al8 Ru2 5 . 143.54(2) ?
Ru3 Al8 Al9 5 5 60.306(15) ?
Ru2 Al8 Al9 . 5 145.45(2) ?
Ru3 Al8 Ru1 5 . 109.918(17) ?
Ru2 Al8 Ru1 . . 106.409(17) ?
Al9 Al8 Ru1 5 . 62.599(15) ?
Ru3 Al8 Si5 5 16 55.492(14) ?
Ru2 Al8 Si5 . 16 104.439(19) ?
Al9 Al8 Si5 5 16 109.63(2) ?
Ru1 Al8 Si5 . 16 117.12(2) ?
Ru3 Al8 Al8 5 3 149.08(3) ?
Ru2 Al8 Al8 . 3 57.924(9) ?
Al9 Al8 Al8 5 3 91.00(2) ?
Ru1 Al8 Al8 . 3 59.587(8) ?
Si5 Al8 Al8 16 3 155.06(3) ?
Ru3 Al8 Al8 5 2 143.73(3) ?
Ru2 Al8 Al8 . 2 57.925(9) ?
Al9 Al8 Al8 5 2 122.187(15) ?
Ru1 Al8 Al8 . 2 59.588(8) ?
Si5 Al8 Al8 16 2 96.24(3) ?
Al8 Al8 Al8 3 2 60.0 ?
Ru3 Al8 Al9 5 16 58.136(15) ?
Ru2 Al8 Al9 . 16 145.13(2) ?
Al9 Al8 Al9 5 16 61.411(12) ?
Ru1 Al8 Al9 . 16 60.799(14) ?
Si5 Al8 Al9 16 16 62.510(18) ?
Al8 Al8 Al9 3 16 120.386(14) ?
Al8 Al8 Al9 2 16 90.01(2) ?
Ru3 Al8 Si5 5 . 104.754(19) ?
Ru2 Al8 Si5 . . 53.057(13) ?
Al9 Al8 Si5 5 . 161.49(2) ?
Ru1 Al8 Si5 . . 118.64(2) ?
Si5 Al8 Si5 16 . 52.363(19) ?
Al8 Al8 Si5 3 . 105.493(16) ?
Al8 Al8 Si5 2 . 62.348(19) ?
Al9 Al8 Si5 16 . 102.09(2) ?
Ru3 Al8 Si5 5 3 111.11(2) ?
Ru2 Al8 Si5 . 3 52.311(13) ?
Al9 Al8 Si5 5 3 101.04(2) ?
Ru1 Al8 Si5 . 3 116.598(19) ?
Si5 Al8 Si5 16 3 125.72(2) ?
Al8 Al8 Si5 3 3 60.177(19) ?
Al8 Al8 Si5 2 3 103.902(16) ?
Al9 Al8 Si5 16 3 162.00(2) ?
Si5 Al8 Si5 . 3 94.55(2) ?
Ru3 Al9 Ru3 14_455 . 147.99(2) ?
Ru3 Al9 Al8 14_455 9_554 148.40(2) ?
Ru3 Al9 Al8 . 9_554 57.934(15) ?
Ru3 Al9 Ru1 14_455 7_554 105.884(17) ?
Ru3 Al9 Ru1 . 7_554 105.607(17) ?
Al8 Al9 Ru1 9_554 7_554 59.509(15) ?
Ru3 Al9 Al9 14_455 15 138.86(3) ?
Ru3 Al9 Al9 . 15 57.609(18) ?
Al8 Al9 Al9 9_554 15 61.789(18) ?
Ru1 Al9 Al9 7_554 15 59.9590(10) ?
Ru3 Al9 Al9 14_455 14_455 57.955(19) ?
Ru3 Al9 Al9 . 14_455 148.22(3) ?
Al8 Al9 Al9 9_554 14_455 91.89(2) ?
Ru1 Al9 Al9 7_554 14_455 60.0 ?
Al9 Al9 Al9 15 14_455 119.687(4) ?
Ru3 Al9 Al8 14_455 16 56.276(14) ?
Ru3 Al9 Al8 . 16 143.01(2) ?
Al8 Al9 Al8 9_554 16 117.42(3) ?
Ru1 Al9 Al8 7_554 16 57.913(14) ?
Al9 Al9 Al8 15 16 87.05(2) ?
Al9 Al9 Al8 14_455 16 56.799(18) ?
Ru3 Al9 Si5 14_455 . 53.152(13) ?
Ru3 Al9 Si5 . . 109.71(2) ?
Al8 Al9 Si5 9_554 . 154.89(3) ?
Ru1 Al9 Si5 7_554 . 109.909(19) ?
Al9 Al9 Si5 15 . 93.10(3) ?
Al9 Al9 Si5 14_455 . 102.00(3) ?
Al8 Al9 Si5 16 . 57.332(16) ?
Ru3 Al9 Al6 14_455 14_455 55.877(14) ?
Ru3 Al9 Al6 . 14_455 110.10(2) ?
Al8 Al9 Al6 9_554 14_455 105.54(2) ?
Ru1 Al9 Al6 7_554 14_455 121.90(2) ?
Al9 Al9 Al6 15 14_455 165.26(3) ?
Al9 Al9 Al6 14_455 14_455 65.56(2) ?
Al8 Al9 Al6 16 14_455 106.35(2) ?
Si5 Al9 Al6 . 14_455 99.26(2) ?
Ru3 Al9 Al7 14_455 . 108.93(2) ?
Ru3 Al9 Al7 . . 56.047(14) ?
Al8 Al9 Al7 9_554 . 67.695(18) ?
Ru1 Al9 Al7 7_554 . 123.68(2) ?
Al9 Al9 Al7 15 . 110.49(3) ?
Al9 Al9 Al7 14_455 . 105.97(3) ?
Al8 Al9 Al7 16 . 160.85(2) ?
Si5 Al9 Al7 . . 126.36(2) ?
Al6 Al9 Al7 14_455 . 55.443(16) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 Al8 12_556 2.6625(5) ?
Ru1 Al8 3 2.6625(5) ?
Ru1 Al8 10_556 2.6625(5) ?
Ru1 Al8 2 2.6626(5) ?
Ru1 Al8 11_556 2.6626(5) ?
Ru1 Al8 . 2.6626(5) ?
Ru1 Al9 17_445 2.7432(5) ?
Ru1 Al9 5 2.7432(5) ?
Ru1 Al9 4_445 2.7432(5) ?
Ru1 Al9 16 2.7432(5) ?
Ru1 Al9 18_545 2.7433(5) ?
Ru1 Al9 6_455 2.7433(5) ?
Ru2 Si5 3 2.3817(4) ?
Ru2 Si5 . 2.3817(4) ?
Ru2 Si5 2 2.3817(4) ?
Ru2 Al8 . 2.5380(5) ?
Ru2 Al8 3 2.5380(5) ?
Ru2 Al8 2 2.5381(5) ?
Ru2 Al6 3 2.5880(5) ?
Ru2 Al6 2 2.5880(5) ?
Ru2 Al6 . 2.5881(5) ?
Ru3 Si5 15 2.4214(4) ?
Ru3 Al8 9_554 2.5175(5) ?
Ru3 Al6 . 2.5459(5) ?
Ru3 Al7 . 2.5702(5) ?
Ru3 Al9 15 2.5708(5) ?
Ru3 Al9 . 2.5806(5) ?
Ru3 Al6 13 2.6110(5) ?
Ru3 Al7 11 2.6119(5) ?
Ru3 Al4 . 2.6597(3) ?
Ru3 Al7 3 2.6643(5) ?
Al4 Al6 2 2.7622(7) ?
Al4 Al6 3 2.7622(7) ?
Al4 Al6 . 2.7622(7) ?
Al4 Al7 . 2.7718(7) ?
Al4 Al7 2 2.7718(7) ?
Al4 Al7 3 2.7718(7) ?
Si5 Si5 16 2.4056(9) ?
Si5 Al8 16 2.6749(6) ?
Si5 Al6 2 2.7560(6) ?
Si5 Al8 . 2.7736(6) ?
Si5 Al6 . 2.7899(6) ?
Si5 Al9 . 2.8188(7) ?
Si5 Al8 2 2.8319(7) ?
Al6 Al7 15 2.6531(6) ?
Al6 Al9 15 2.8394(7) ?
Al6 Al6 13 2.8614(9) ?
Al7 Al7 12 2.6922(6) ?
Al7 Al7 11 2.6922(6) ?
Al7 Al9 . 2.8639(7) ?
Al8 Al9 5 2.6172(7) ?
Al8 Al8 3 2.6956(8) ?
Al8 Al8 2 2.6957(8) ?
Al8 Al9 16 2.7562(7) ?
Al9 Al9 15 2.7465(5) ?
Al9 Al9 14_455 2.7465(5) ?

_cod_database_fobs_code 2312359
