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#$Date: 2023-12-25 04:20:52 +0200 (Mon, 25 Dec 2023) $
#$Revision: 288547 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/05/1570595.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_1570595
loop_
_publ_author_name
'Kitahara, Koichi'
'Takakura, Hiroyuki'
'Iwasaki, Yutaka'
'Kimura, Kaoru'
_publ_section_title
;
 Phase Equilibria in Aluminium--Ruthenium--Silicon System near 1200 Kelvin
;
_journal_issue                   1
_journal_name_full               'Materials Transactions'
_journal_page_first              18
_journal_page_last               26
_journal_paper_doi               10.2320/matertrans.MT-M2023128
_journal_volume                  65
_journal_year                    2024
_chemical_formula_iupac          '\\sim Ru7 (Al0.9 Si0.1)24'
_chemical_formula_moiety         'Al22.43 Ru6.88 Si1.79'
_chemical_formula_sum            'Al22.43 Ru6.88 Si1.79'
_chemical_formula_weight         1350.80
_space_group_crystal_system      cubic
_space_group_IT_number           200
_space_group_name_Hall           '-P 2 2 3'
_space_group_name_H-M_alt        'P m -3'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.75500(4)
_cell_length_b                   7.75500(4)
_cell_length_c                   7.75500(4)
_cell_measurement_reflns_used    18811
_cell_measurement_temperature    300(1)
_cell_measurement_theta_max      38.2580
_cell_measurement_theta_min      2.5790
_cell_volume                     466.386(4)
_computing_cell_refinement
'CrysAlisPro 1.171.42.84a (Matsumoto et al., 2021)'
_computing_data_collection
'CrysAlisPro 1.171.42.84a (Matsumoto et al., 2021)'
_computing_data_reduction
'CrysAlisPro 1.171.42.84a (Matsumoto et al., 2021)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      300(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_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  0.0275
_diffrn_reflns_av_unetI/netI     0.0063
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            23268
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         38.061
_diffrn_reflns_theta_min         2.626
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.590
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'CrysAlisPro 1.171.42.84a (Matsumoto et al., 2021)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    4.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             612.22
_exptl_crystal_size_max          0.045
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.032
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.0030(4)
_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   1.221
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.0165
_refine_ls_R_factor_gt           0.0161
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0110P)²+0.6679P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0356
_refine_ls_wR_factor_ref         0.0357
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                492
_reflns_number_total             499
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c_asrs14b001_a.checkcif.cif
_cod_data_source_block           asr-s14b001
_cod_original_cell_volume        466.385(7)
_cod_database_code               1570595
_shelx_shelxl_version_number     2019/3
_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.
;
_exptl_absorpt_special_details
;
CrysAlisPro 1.171.42.84a (Matsumoto et al., 2021)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.783
_oxdiff_exptl_absorpt_empirical_full_max 1.315
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z'
3 '-x, y, -z'
4 'x, -y, -z'
5 'z, x, y'
6 'z, -x, -y'
7 '-z, -x, y'
8 '-z, x, -y'
9 'y, z, x'
10 '-y, z, -x'
11 'y, -z, -x'
12 '-y, -z, x'
13 '-x, -y, -z'
14 'x, y, -z'
15 'x, -y, z'
16 '-x, y, z'
17 '-z, -x, -y'
18 '-z, x, y'
19 'z, x, -y'
20 'z, -x, y'
21 '-y, -z, -x'
22 'y, -z, x'
23 '-y, z, x'
24 'y, z, -x'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.000000 0.000000 0.000000 0.00720(13) Uani 0.880(3) 24 d S T . . .
Si2 Si 0.500000 0.500000 0.500000 0.0073(2) Uani 1 24 d S T P . .
Ru3 Ru 0.29963(2) 0.500000 0.000000 0.01291(7) Uani 1 4 d S T P . .
Al4 Al 0.500000 0.31558(9) 0.19038(8) 0.01919(13) Uani 1 2 d S T P . .
Al5A Al 0.3806(5) 0.000000 0.000000 0.0220(8) Uani 0.442(7) 4 d S T . . .
Al5B Al 0.461(3) 0.000000 0.000000 0.009(5) Uiso 0.046(6) 4 d S . . . .
Al6A Al 0.1800(7) 0.1800(7) 0.1800(7) 0.0177(18) Uani 0.26(2) 3 d S T . . .
Al6B Al 0.1386(15) 0.2445(15) 0.1545(8) 0.054(3) Uani 0.211(9) 1 d . . . . .
Al6C Al 0.000000 0.287(7) 0.125(7) 0.07(2) Uiso 0.030(6) 2 d S . . . .
Si6D Si 0.000000 0.1579(15) 0.2523(15) 0.030(3) Uani 0.066(4) 2 d S T . . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Si6D Ru1 Si6D 180.0(3) 21 9
Si6D Ru1 Si6D 63.27(15) 21 17
Si6D Ru1 Si6D 116.73(15) 9 17
Si6D Ru1 Si6D 116.73(15) 21 5
Si6D Ru1 Si6D 63.27(15) 9 5
Si6D Ru1 Si6D 180.0(5) 17 5
Si6D Ru1 Si6D 63.27(15) 21 13
Si6D Ru1 Si6D 116.73(15) 9 13
Si6D Ru1 Si6D 63.27(15) 17 13
Si6D Ru1 Si6D 116.73(15) 5 13
Si6D Ru1 Si6D 116.73(15) 21 .
Si6D Ru1 Si6D 63.27(15) 9 .
Si6D Ru1 Si6D 116.73(16) 17 .
Si6D Ru1 Si6D 63.27(15) 5 .
Si6D Ru1 Si6D 180.0 13 .
Si6D Ru1 Si6D 64.1(6) 21 22
Si6D Ru1 Si6D 115.9(6) 9 22
Si6D Ru1 Si6D 116.73(15) 17 22
Si6D Ru1 Si6D 63.27(15) 5 22
Si6D Ru1 Si6D 63.27(15) 13 22
Si6D Ru1 Si6D 116.73(15) . 22
Si6D Ru1 Si6D 115.9(6) 21 10
Si6D Ru1 Si6D 64.1(6) 9 10
Si6D Ru1 Si6D 63.27(15) 17 10
Si6D Ru1 Si6D 116.73(15) 5 10
Si6D Ru1 Si6D 116.73(15) 13 10
Si6D Ru1 Si6D 63.27(15) . 10
Si6D Ru1 Si6D 180.0(5) 22 10
Si6D Ru1 Si6D 63.27(15) 21 18
Si6D Ru1 Si6D 116.73(15) 9 18
Si6D Ru1 Si6D 64.1(6) 17 18
Si6D Ru1 Si6D 115.9(6) 5 18
Si6D Ru1 Si6D 116.73(15) 13 18
Si6D Ru1 Si6D 63.27(15) . 18
Si6D Ru1 Si6D 116.73(15) 22 18
Si6D Ru1 Si6D 63.27(15) 10 18
Si6D Ru1 Si6D 116.73(15) 21 6
Si6D Ru1 Si6D 63.27(15) 9 6
Si6D Ru1 Si6D 115.9(6) 17 6
Si6D Ru1 Si6D 64.1(6) 5 6
Si6D Ru1 Si6D 63.27(15) 13 6
Si6D Ru1 Si6D 116.73(15) . 6
Si6D Ru1 Si6D 63.27(15) 22 6
Si6D Ru1 Si6D 116.73(15) 10 6
Si6D Ru1 Si6D 180.0(3) 18 6
Si6D Ru1 Si6D 116.73(15) 21 14
Si6D Ru1 Si6D 63.27(15) 9 14
Si6D Ru1 Si6D 63.27(15) 17 14
Si6D Ru1 Si6D 116.73(15) 5 14
Si6D Ru1 Si6D 64.1(6) 13 14
Si6D Ru1 Si6D 115.9(6) . 14
Si6D Ru1 Si6D 116.73(15) 22 14
Si6D Ru1 Si6D 63.27(15) 10 14
Si6D Ru1 Si6D 116.73(15) 18 14
Si6D Ru1 Si6D 63.27(15) 6 14
Si6D Ru1 Si6D 63.27(15) 21 2
Si6D Ru1 Si6D 116.73(15) 9 2
Si6D Ru1 Si6D 116.73(15) 17 2
Si6D Ru1 Si6D 63.27(15) 5 2
Si6D Ru1 Si6D 115.9(6) 13 2
Si6D Ru1 Si6D 64.1(6) . 2
Si6D Ru1 Si6D 63.27(15) 22 2
Si6D Ru1 Si6D 116.73(15) 10 2
Si6D Ru1 Si6D 63.27(15) 18 2
Si6D Ru1 Si6D 116.73(15) 6 2
Si6D Ru1 Si6D 180.0(5) 14 2
Al4 Si2 Al4 180.0 21_666 9
Al4 Si2 Al4 63.918(7) 21_666 17_666
Al4 Si2 Al4 116.082(7) 9 17_666
Al4 Si2 Al4 116.082(7) 21_666 5
Al4 Si2 Al4 63.918(7) 9 5
Al4 Si2 Al4 180.0 17_666 5
Al4 Si2 Al4 63.918(7) 21_666 13_666
Al4 Si2 Al4 116.082(7) 9 13_666
Al4 Si2 Al4 63.918(7) 17_666 13_666
Al4 Si2 Al4 116.082(7) 5 13_666
Al4 Si2 Al4 61.56(3) 21_666 22_565
Al4 Si2 Al4 118.44(3) 9 22_565
Al4 Si2 Al4 116.082(7) 17_666 22_565
Al4 Si2 Al4 63.918(7) 5 22_565
Al4 Si2 Al4 63.918(7) 13_666 22_565
Al4 Si2 Al4 118.44(3) 21_666 10_656
Al4 Si2 Al4 61.56(3) 9 10_656
Al4 Si2 Al4 63.918(7) 17_666 10_656
Al4 Si2 Al4 116.082(7) 5 10_656
Al4 Si2 Al4 116.082(7) 13_666 10_656
Al4 Si2 Al4 180.0 22_565 10_656
Al4 Si2 Al4 116.082(7) 21_666 6_566
Al4 Si2 Al4 63.918(7) 9 6_566
Al4 Si2 Al4 118.44(3) 17_666 6_566
Al4 Si2 Al4 61.56(3) 5 6_566
Al4 Si2 Al4 63.918(7) 13_666 6_566
Al4 Si2 Al4 63.918(7) 22_565 6_566
Al4 Si2 Al4 116.082(7) 10_656 6_566
Al4 Si2 Al4 63.918(7) 21_666 18_655
Al4 Si2 Al4 116.082(7) 9 18_655
Al4 Si2 Al4 61.56(3) 17_666 18_655
Al4 Si2 Al4 118.44(3) 5 18_655
Al4 Si2 Al4 116.082(7) 13_666 18_655
Al4 Si2 Al4 116.082(7) 22_565 18_655
Al4 Si2 Al4 63.918(7) 10_656 18_655
Al4 Si2 Al4 180.0 6_566 18_655
Al4 Si2 Al4 63.918(7) 21_666 2_665
Al4 Si2 Al4 116.082(7) 9 2_665
Al4 Si2 Al4 116.082(7) 17_666 2_665
Al4 Si2 Al4 63.918(7) 5 2_665
Al4 Si2 Al4 118.44(3) 13_666 2_665
Al4 Si2 Al4 63.918(7) 22_565 2_665
Al4 Si2 Al4 116.082(7) 10_656 2_665
Al4 Si2 Al4 116.082(7) 6_566 2_665
Al4 Si2 Al4 63.918(7) 18_655 2_665
Al4 Si2 Al4 116.082(7) 21_666 14_556
Al4 Si2 Al4 63.918(7) 9 14_556
Al4 Si2 Al4 63.918(7) 17_666 14_556
Al4 Si2 Al4 116.082(7) 5 14_556
Al4 Si2 Al4 61.56(3) 13_666 14_556
Al4 Si2 Al4 116.082(7) 22_565 14_556
Al4 Si2 Al4 63.918(7) 10_656 14_556
Al4 Si2 Al4 63.918(7) 6_566 14_556
Al4 Si2 Al4 116.082(7) 18_655 14_556
Al4 Si2 Al4 180.0 2_665 14_556
Al4 Si2 Al4 116.082(7) 21_666 .
Al4 Si2 Al4 63.918(7) 9 .
Al4 Si2 Al4 116.082(7) 17_666 .
Al4 Si2 Al4 63.918(7) 5 .
Al4 Si2 Al4 180.0 13_666 .
Al4 Si2 Al4 116.082(7) 22_565 .
Al4 Si2 Al4 63.918(7) 10_656 .
Al4 Si2 Al4 116.082(7) 6_566 .
Al4 Si2 Al4 63.918(7) 18_655 .
Al4 Si2 Al4 61.56(3) 2_665 .
Al4 Si2 Al4 118.44(3) 14_556 .
Si6D Ru3 Si6D 120.5(7) 9 22_565
Si6D Ru3 Al5B 52.8(6) 9 5
Si6D Ru3 Al5B 67.6(6) 22_565 5
Si6D Ru3 Al5B 67.6(6) 9 17_565
Si6D Ru3 Al5B 52.8(6) 22_565 17_565
Al5B Ru3 Al5B 14.8(11) 5 17_565
Si6D Ru3 Al5A 38.5(3) 9 5
Si6D Ru3 Al5A 82.0(3) 22_565 5
Al5B Ru3 Al5A 14.3(5) 5 5
Al5B Ru3 Al5A 29.1(6) 17_565 5
Si6D Ru3 Al5A 82.0(3) 9 17_565
Si6D Ru3 Al5A 38.5(3) 22_565 17_565
Al5B Ru3 Al5A 29.1(6) 5 17_565
Al5B Ru3 Al5A 14.3(5) 17_565 17_565
Al5A Ru3 Al5A 43.46(16) 5 17_565
Si6D Ru3 Al4 79.5(3) 9 .
Si6D Ru3 Al4 141.37(13) 22_565 .
Al5B Ru3 Al4 121.8(4) 5 .
Al5B Ru3 Al4 132.0(3) 17_565 .
Al5A Ru3 Al4 110.78(6) 5 .
Al5A Ru3 Al4 139.97(4) 17_565 .
Si6D Ru3 Al4 141.37(13) 9 2_665
Si6D Ru3 Al4 79.5(3) 22_565 2_665
Al5B Ru3 Al4 132.0(3) 5 2_665
Al5B Ru3 Al4 121.8(4) 17_565 2_665
Al5A Ru3 Al4 139.97(4) 5 2_665
Al5A Ru3 Al4 110.78(7) 17_565 2_665
Al4 Ru3 Al4 67.43(3) . 2_665
Si6D Ru3 Al4 79.5(3) 9 14
Si6D Ru3 Al4 141.37(13) 22_565 14
Al5B Ru3 Al4 121.8(4) 5 14
Al5B Ru3 Al4 132.0(3) 17_565 14
Al5A Ru3 Al4 110.78(7) 5 14
Al5A Ru3 Al4 139.97(4) 17_565 14
Al4 Ru3 Al4 69.92(3) . 14
Al4 Ru3 Al4 105.826(18) 2_665 14
Si6D Ru3 Al4 141.37(13) 9 13_665
Si6D Ru3 Al4 79.5(3) 22_565 13_665
Al5B Ru3 Al4 132.0(3) 5 13_665
Al5B Ru3 Al4 121.8(4) 17_565 13_665
Al5A Ru3 Al4 139.97(4) 5 13_665
Al5A Ru3 Al4 110.78(7) 17_565 13_665
Al4 Ru3 Al4 105.826(18) . 13_665
Al4 Ru3 Al4 69.92(3) 2_665 13_665
Al4 Ru3 Al4 67.42(3) 14 13_665
Si6D Ru3 Al4 80.65(10) 9 6_565
Si6D Ru3 Al4 80.65(9) 22_565 6_565
Al5B Ru3 Al4 71.07(3) 5 6_565
Al5B Ru3 Al4 71.07(3) 17_565 6_565
Al5A Ru3 Al4 72.308(18) 5 6_565
Al5A Ru3 Al4 72.308(18) 17_565 6_565
Al4 Ru3 Al4 137.622(8) . 6_565
Al4 Ru3 Al4 137.623(8) 2_665 6_565
Al4 Ru3 Al4 69.87(2) 14 6_565
Al4 Ru3 Al4 69.87(2) 13_665 6_565
Si6D Ru3 Al4 80.65(9) 9 5
Si6D Ru3 Al4 80.65(10) 22_565 5
Al5B Ru3 Al4 71.07(3) 5 5
Al5B Ru3 Al4 71.07(3) 17_565 5
Al5A Ru3 Al4 72.308(18) 5 5
Al5A Ru3 Al4 72.308(17) 17_565 5
Al4 Ru3 Al4 69.87(2) . 5
Al4 Ru3 Al4 69.87(2) 2_665 5
Al4 Ru3 Al4 137.623(8) 14 5
Al4 Ru3 Al4 137.623(8) 13_665 5
Al4 Ru3 Al4 141.81(3) 6_565 5
Al6B Al4 Al6B 113.0(7) 9 23_655
Al6B Al4 Ru3 134.2(3) 9 13_665
Al6B Al4 Ru3 72.07(11) 23_655 13_665
Al6B Al4 Ru3 72.07(11) 9 .
Al6B Al4 Ru3 134.2(3) 23_655 .
Ru3 Al4 Ru3 74.173(18) 13_665 .
Al6B Al4 Ru3 63.80(13) 9 9
Al6B Al4 Ru3 63.80(13) 23_655 9
Ru3 Al4 Ru3 135.393(18) 13_665 9
Ru3 Al4 Ru3 135.393(18) . 9
Al6B Al4 Al6C 25.5(8) 9 9
Al6B Al4 Al6C 97.6(13) 23_655 9
Ru3 Al4 Al6C 111.4(7) 13_665 9
Ru3 Al4 Al6C 67.4(12) . 9
Ru3 Al4 Al6C 69.9(10) 9 9
Al6B Al4 Al6C 97.6(13) 9 10_655
Al6B Al4 Al6C 25.5(8) 23_655 10_655
Ru3 Al4 Al6C 67.4(12) 13_665 10_655
Ru3 Al4 Al6C 111.4(7) . 10_655
Ru3 Al4 Al6C 69.9(10) 9 10_655
Al6C Al4 Al6C 77(2) 9 10_655
Al6B Al4 Al6A 123.9(2) 9 16_655
Al6B Al4 Al6A 12.2(5) 23_655 16_655
Ru3 Al4 Al6A 69.17(2) 13_665 16_655
Ru3 Al4 Al6A 138.97(8) . 16_655
Ru3 Al4 Al6A 68.98(2) 9 16_655
Al6C Al4 Al6A 109.8(12) 9 16_655
Al6C Al4 Al6A 36.5(9) 10_655 16_655
Al6B Al4 Al6A 12.2(5) 9 .
Al6B Al4 Al6A 123.9(2) 23_655 .
Ru3 Al4 Al6A 138.97(8) 13_665 .
Ru3 Al4 Al6A 69.17(2) . .
Ru3 Al4 Al6A 68.98(2) 9 .
Al6C Al4 Al6A 36.5(9) 9 .
Al6C Al4 Al6A 109.8(12) 10_655 .
Al6A Al4 Al6A 133.96(15) 16_655 .
Al6B Al4 Si2 114.5(4) 9 .
Al6B Al4 Si2 114.5(4) 23_655 .
Ru3 Al4 Si2 102.02(2) 13_665 .
Ru3 Al4 Si2 102.02(2) . .
Ru3 Al4 Si2 101.68(2) 9 .
Al6C Al4 Si2 139.4(9) 9 .
Al6C Al4 Si2 139.4(9) 10_655 .
Al6A Al4 Si2 103.01(13) 16_655 .
Al6A Al4 Si2 103.01(13) . .
Al6B Al4 Al4 121.7(2) 9 2_665
Al6B Al4 Al4 121.7(2) 23_655 2_665
Ru3 Al4 Al4 56.287(14) 13_665 2_665
Ru3 Al4 Al4 56.287(14) . 2_665
Ru3 Al4 Al4 160.904(15) 9 2_665
Al6C Al4 Al4 123.7(12) 9 2_665
Al6C Al4 Al4 123.7(12) 10_655 2_665
Al6A Al4 Al4 112.95(6) 16_655 2_665
Al6A Al4 Al4 112.95(6) . 2_665
Si2 Al4 Al4 59.220(13) . 2_665
Al6B Al4 Al6B 21.3(5) 9 .
Al6B Al4 Al6B 134.17(15) 23_655 .
Ru3 Al4 Al6B 129.8(2) 13_665 .
Ru3 Al4 Al6B 57.5(3) . .
Ru3 Al4 Al6B 81.4(3) 9 .
Al6C Al4 Al6B 39.9(11) 9 .
Al6C Al4 Al6B 116.5(12) 10_655 .
Al6A Al4 Al6B 145.2(3) 16_655 .
Al6A Al4 Al6B 12.4(3) . .
Si2 Al4 Al6B 100.47(9) . .
Al4 Al4 Al6B 101.1(3) 2_665 .
Al5B Al5A Al6C 127(3) . 22
Al5B Al5A Al6C 127(3) . 9
Al6C Al5A Al6C 106(5) 22 9
Al5B Al5A Al5B 0.0 . 13_655
Al6C Al5A Al5B 127(3) 22 13_655
Al6C Al5A Al5B 127(3) 9 13_655
Al5B Al5A Si6D 129.1(4) . 6
Al6C Al5A Si6D 67.7(15) 22 6
Al6C Al5A Si6D 67.7(15) 9 6
Al5B Al5A Si6D 129.1(4) 13_655 6
Al5B Al5A Si6D 129.1(4) . 5
Al6C Al5A Si6D 67.7(15) 22 5
Al6C Al5A Si6D 67.7(15) 9 5
Al5B Al5A Si6D 129.1(4) 13_655 5
Si6D Al5A Si6D 101.8(7) 6 5
Al5B Al5A Al5A 0.0 . 13_655
Al6C Al5A Al5A 127(3) 22 13_655
Al6C Al5A Al5A 127(3) 9 13_655
Al5B Al5A Al5A 0.0 13_655 13_655
Si6D Al5A Al5A 129.1(4) 6 13_655
Si6D Al5A Al5A 129.1(4) 5 13_655
Al5B Al5A Al6B 123.26(15) . 11
Al6C Al5A Al6B 34.2(3) 22 11
Al6C Al5A Al6B 100(2) 9 11
Al5B Al5A Al6B 123.26(15) 13_655 11
Si6D Al5A Al6B 38.8(2) 6 11
Si6D Al5A Al6B 95.0(3) 5 11
Al5A Al5A Al6B 123.26(15) 13_655 11
Al5B Al5A Al6B 123.26(15) . 22
Al6C Al5A Al6B 34.2(3) 22 22
Al6C Al5A Al6B 100(2) 9 22
Al5B Al5A Al6B 123.26(15) 13_655 22
Si6D Al5A Al6B 95.0(3) 6 22
Si6D Al5A Al6B 38.8(2) 5 22
Al5A Al5A Al6B 123.26(15) 13_655 22
Al6B Al5A Al6B 67.9(3) 11 22
Al5B Al5A Al6B 123.26(15) . 9
Al6C Al5A Al6B 100(2) 22 9
Al6C Al5A Al6B 34.2(3) 9 9
Al5B Al5A Al6B 123.26(15) 13_655 9
Si6D Al5A Al6B 95.0(3) 6 9
Si6D Al5A Al6B 38.8(2) 5 9
Al5A Al5A Al6B 123.26(15) 13_655 9
Al6B Al5A Al6B 113.5(3) 11 9
Al6B Al5A Al6B 77.0(4) 22 9
Al5B Al5A Al6B 123.26(15) . 24
Al6C Al5A Al6B 100(2) 22 24
Al6C Al5A Al6B 34.2(3) 9 24
Al5B Al5A Al6B 123.26(15) 13_655 24
Si6D Al5A Al6B 38.8(2) 6 24
Si6D Al5A Al6B 95.0(3) 5 24
Al5A Al5A Al6B 123.26(15) 13_655 24
Al6B Al5A Al6B 77.0(4) 11 24
Al6B Al5A Al6B 113.5(3) 22 24
Al6B Al5A Al6B 67.9(3) 9 24
Al5B Al5A Ru3 68.27(8) . 9
Al6C Al5A Ru3 102.9(8) 22 9
Al6C Al5A Ru3 102.9(8) 9 9
Al5B Al5A Ru3 68.27(8) 13_655 9
Si6D Al5A Ru3 162.6(4) 6 9
Si6D Al5A Ru3 60.8(4) 5 9
Al5A Al5A Ru3 68.27(8) 13_655 9
Al6B Al5A Ru3 136.20(19) 11 9
Al6B Al5A Ru3 71.60(12) 22 9
Al6B Al5A Ru3 71.60(12) 9 9
Al6B Al5A Ru3 136.20(19) 24 9
Al5B Al5B Al5A 180.0 13_655 .
Al5B Al5B Al5A 0.0 13_655 13_655
Al5A Al5B Al5A 180.0 . 13_655
Al5B Al5B Al6C 144(2) 13_655 22
Al5A Al5B Al6C 36(2) . 22
Al5A Al5B Al6C 144(2) 13_655 22
Al5B Al5B Al6C 144(2) 13_655 9
Al5A Al5B Al6C 36(2) . 9
Al5A Al5B Al6C 144(2) 13_655 9
Al6C Al5B Al6C 71(4) 22 9
Al5B Al5B Si6D 142.9(5) 13_655 6
Al5A Al5B Si6D 37.1(5) . 6
Al5A Al5B Si6D 142.9(5) 13_655 6
Al6C Al5B Si6D 49.6(13) 22 6
Al6C Al5B Si6D 49.6(13) 9 6
Al5B Al5B Si6D 142.9(5) 13_655 5
Al5A Al5B Si6D 37.1(5) . 5
Al5A Al5B Si6D 142.9(5) 13_655 5
Al6C Al5B Si6D 49.6(13) 22 5
Al6C Al5B Si6D 49.6(13) 9 5
Si6D Al5B Si6D 74.2(9) 6 5
Al5B Al5B Al6C 26.3(15) 13_655 10_655
Al5A Al5B Al6C 153.7(15) . 10_655
Al5A Al5B Al6C 26.3(15) 13_655 10_655
Al6C Al5B Al6C 170.7(9) 22 10_655
Al6C Al5B Al6C 118(3) 9 10_655
Si6D Al5B Al6C 135.6(8) 6 10_655
Si6D Al5B Al6C 135.6(8) 5 10_655
Al5B Al5B Al6C 26.3(15) 13_655 21_655
Al5A Al5B Al6C 153.7(15) . 21_655
Al5A Al5B Al6C 26.3(15) 13_655 21_655
Al6C Al5B Al6C 118(3) 22 21_655
Al6C Al5B Al6C 170.7(9) 9 21_655
Si6D Al5B Al6C 135.6(8) 6 21_655
Si6D Al5B Al6C 135.6(8) 5 21_655
Al6C Al5B Al6C 53(3) 10_655 21_655
Al5B Al5B Al6B 136.2(4) 13_655 11
Al5A Al5B Al6B 43.8(4) . 11
Al5A Al5B Al6B 136.2(4) 13_655 11
Al6C Al5B Al6B 27.5(3) 22 11
Al6C Al5B Al6B 73.3(18) 9 11
Si6D Al5B Al6B 31.3(3) 6 11
Si6D Al5B Al6B 72.7(7) 5 11
Al6C Al5B Al6B 151.1(6) 10_655 11
Al6C Al5B Al6B 114.7(13) 21_655 11
Al5B Al5B Al6B 136.2(4) 13_655 24
Al5A Al5B Al6B 43.8(4) . 24
Al5A Al5B Al6B 136.2(4) 13_655 24
Al6C Al5B Al6B 73.3(18) 22 24
Al6C Al5B Al6B 27.5(3) 9 24
Si6D Al5B Al6B 31.3(3) 6 24
Si6D Al5B Al6B 72.7(7) 5 24
Al6C Al5B Al6B 114.7(13) 10_655 24
Al6C Al5B Al6B 151.1(6) 21_655 24
Al6B Al5B Al6B 62.0(5) 11 24
Al5B Al5B Al6B 136.2(4) 13_655 22
Al5A Al5B Al6B 43.8(4) . 22
Al5A Al5B Al6B 136.2(4) 13_655 22
Al6C Al5B Al6B 27.5(3) 22 22
Al6C Al5B Al6B 73.3(18) 9 22
Si6D Al5B Al6B 72.7(7) 6 22
Si6D Al5B Al6B 31.3(3) 5 22
Al6C Al5B Al6B 151.1(6) 10_655 22
Al6C Al5B Al6B 114.7(13) 21_655 22
Al6B Al5B Al6B 55.0(5) 11 22
Al6B Al5B Al6B 87.6(8) 24 22
Al6B Al6A Al6B 119.97(7) . 9
Al6B Al6A Al6B 119.97(8) . 5
Al6B Al6A Al6B 119.97(7) 9 5
Al6B Al6A Si6D 74.6(8) . .
Al6B Al6A Si6D 152.8(14) 9 .
Al6B Al6A Si6D 49.8(7) 5 .
Al6B Al6A Si6D 49.8(7) . 9
Al6B Al6A Si6D 74.6(8) 9 9
Al6B Al6A Si6D 152.8(14) 5 9
Si6D Al6A Si6D 106.2(6) . 9
Al6B Al6A Si6D 152.8(14) . 5
Al6B Al6A Si6D 49.8(7) 9 5
Al6B Al6A Si6D 74.6(8) 5 5
Si6D Al6A Si6D 106.2(6) . 5
Si6D Al6A Si6D 106.2(6) 9 5
Al6B Al6A Al6C 134(2) . 5
Al6B Al6A Al6C 101.1(18) 9 5
Al6B Al6A Al6C 26(2) 5 5
Si6D Al6A Al6C 59.2(19) . 5
Si6D Al6A Al6C 137.1(19) 9 5
Si6D Al6A Al6C 51.9(17) 5 5
Al6B Al6A Al6C 101.1(18) . 9
Al6B Al6A Al6C 26(2) 9 9
Al6B Al6A Al6C 134(2) 5 9
Si6D Al6A Al6C 137.1(19) . 9
Si6D Al6A Al6C 51.9(17) 9 9
Si6D Al6A Al6C 59.2(19) 5 9
Al6C Al6A Al6C 108.9(19) 5 9
Al6B Al6A Al6C 26(2) . .
Al6B Al6A Al6C 134(2) 9 .
Al6B Al6A Al6C 101.1(18) 5 .
Si6D Al6A Al6C 51.9(17) . .
Si6D Al6A Al6C 59.2(19) 9 .
Si6D Al6A Al6C 137.1(19) 5 .
Al6C Al6A Al6C 108.9(19) 5 .
Al6C Al6A Al6C 108.9(19) 9 .
Al6B Al6A Ru1 88.9(12) . .
Al6B Al6A Ru1 88.9(12) 9 .
Al6B Al6A Ru1 88.9(12) 5 .
Si6D Al6A Ru1 67.4(5) . .
Si6D Al6A Ru1 67.4(5) 9 .
Si6D Al6A Ru1 67.4(5) 5 .
Al6C Al6A Ru1 69.9(19) 5 .
Al6C Al6A Ru1 69.9(18) 9 .
Al6C Al6A Ru1 69.9(18) . .
Al6B Al6A Al5A 125.8(5) . .
Al6B Al6A Al5A 17.3(9) 9 .
Al6B Al6A Al5A 110.7(6) 5 .
Si6D Al6A Al5A 135.5(6) . .
Si6D Al6A Al5A 76.3(5) 9 .
Si6D Al6A Al5A 36.5(5) 5 .
Al6C Al6A Al5A 88.2(17) 5 .
Al6C Al6A Al5A 24.7(17) 9 .
Al6C Al6A Al5A 130(2) . .
Ru1 Al6A Al5A 73.5(2) . .
Al6B Al6A Al5A 17.3(9) . 5
Al6B Al6A Al5A 110.7(6) 9 5
Al6B Al6A Al5A 125.8(5) 5 5
Si6D Al6A Al5A 76.3(5) . 5
Si6D Al6A Al5A 36.5(5) 9 5
Si6D Al6A Al5A 135.5(6) 5 5
Al6C Al6A Al5A 130(2) 5 5
Al6C Al6A Al5A 88.2(17) 9 5
Al6C Al6A Al5A 24.7(17) . 5
Ru1 Al6A Al5A 73.5(2) . 5
Al5A Al6A Al5A 112.26(19) . 5
Al6A Al6B Al6B 30.02(4) . 5
Al6A Al6B Al6B 30.02(4) . 9
Al6B Al6B Al6B 60.0 5 9
Al6A Al6B Al6C 140(3) . .
Al6B Al6B Al6C 117(3) 5 .
Al6B Al6B Al6C 150(3) 9 .
Al6A Al6B Si6D 106.9(9) . 9
Al6B Al6B Si6D 131.4(10) 5 9
Al6B Al6B Si6D 80.0(12) 9 9
Al6C Al6B Si6D 84(3) . 9
Al6A Al6B Si6D 81.3(5) . .
Al6B Al6B Si6D 53.7(7) 5 .
Al6B Al6B Si6D 108.5(7) 9 .
Al6C Al6B Si6D 63(3) . .
Si6D Al6B Si6D 128.4(9) 9 .
Al6A Al6B Al6C 60.0(13) . 9
Al6B Al6B Al6C 88.1(15) 5 9
Al6B Al6B Al6C 32.6(14) 9 9
Al6C Al6B Al6C 125(4) . 9
Si6D Al6B Al6C 47.5(13) 9 9
Si6D Al6B Al6C 122.8(18) . 9
Al6A Al6B Al5A 157.1(10) . 5
Al6B Al6B Al5A 151.5(4) 5 5
Al6B Al6B Al5A 134.8(5) 9 5
Al6C Al6B Al5A 36(3) . 5
Si6D Al6B Al5A 54.9(9) 9 5
Si6D Al6B Al5A 99.4(8) . 5
Al6C Al6B Al5A 102.3(12) 9 5
Al6A Al6B Si6D 19.3(9) . 5
Al6B Al6B Si6D 42.1(5) 5 5
Al6B Al6B Si6D 25.7(4) 9 5
Al6C Al6B Si6D 131(3) . 5
Si6D Al6B Si6D 90.3(8) 9 5
Si6D Al6B Si6D 83.6(6) . 5
Al6C Al6B Si6D 46.5(14) 9 5
Al5A Al6B Si6D 137.8(3) 5 5
Al6A Al6B Al6B 120.9(9) . 16
Al6B Al6B Al6B 96.5(3) 5 16
Al6B Al6B Al6B 139.20(19) 9 16
Al6C Al6B Al6B 20(3) . 16
Si6D Al6B Al6B 97.1(8) 9 16
Si6D Al6B Al6B 43.3(7) . 16
Al6C Al6B Al6B 127.1(15) 9 16
Al5A Al6B Al6B 56.05(15) 5 16
Si6D Al6B Al6B 114.9(3) 5 16
Al6A Al6B Al6C 34.3(17) . 5
Al6B Al6B Al6C 15.2(14) 5 5
Al6B Al6B Al6C 61.7(15) 9 5
Al6C Al6B Al6C 107(3) . 5
Si6D Al6B Al6C 121.4(15) 9 5
Si6D Al6B Al6C 47.2(16) . 5
Al6C Al6B Al6C 84.3(14) 9 5
Al5A Al6B Al6C 138.6(15) 5 5
Si6D Al6B Al6C 38.5(15) 5 5
Al6B Al6B Al6C 87.2(15) 16 5
Al6A Al6B Al5B 167.5(7) . 5
Al6B Al6B Al5B 158.5(5) 5 5
Al6B Al6B Al5B 139.1(5) 9 5
Al6C Al6B Al5B 42(3) . 5
Si6D Al6B Al5B 60.7(9) 9 5
Si6D Al6B Al5B 104.9(9) . 5
Al6C Al6B Al5B 107.9(13) 9 5
Al5A Al6B Al5B 13.0(3) 5 5
Si6D Al6B Al5B 148.9(5) 5 5
Al6B Al6B Al5B 62.5(3) 16 5
Al6C Al6B Al5B 148.9(16) 5 5
Al6B Al6C Al6B 139(5) 16 .
Al6B Al6C Al5A 109(3) 16 5
Al6B Al6C Al5A 109(3) . 5
Al6B Al6C Si6D 70(3) 16 .
Al6B Al6C Si6D 70(3) . .
Al5A Al6C Si6D 172(5) 5 .
Al6B Al6C Si6D 49.4(13) 16 10
Al6B Al6C Si6D 143(5) . 10
Al5A Al6C Si6D 67(2) 5 10
Si6D Al6C Si6D 108(3) . 10
Al6B Al6C Si6D 143(5) 16 9
Al6B Al6C Si6D 49.4(13) . 9
Al5A Al6C Si6D 67(2) 5 9
Si6D Al6C Si6D 108(3) . 9
Si6D Al6C Si6D 101(3) 10 9
Al6B Al6C Al5B 110(3) 16 5
Al6B Al6C Al5B 110(3) . 5
Al5A Al6C Al5B 17.4(11) 5 5
Si6D Al6C Al5B 171(4) . 5
Si6D Al6C Al5B 77(2) 10 5
Si6D Al6C Al5B 77(2) 9 5
Al6B Al6C Al6A 126(4) 16 .
Al6B Al6C Al6A 13.7(11) . .
Al5A Al6C Al6A 120(2) 5 .
Si6D Al6C Al6A 58.0(17) . .
Si6D Al6C Al6A 136(4) 10 .
Si6D Al6C Al6A 55.2(8) 9 .
Al5B Al6C Al6A 123.3(17) 5 .
Al6B Al6C Al6A 13.7(11) 16 16
Al6B Al6C Al6A 126(4) . 16
Al5A Al6C Al6A 120(2) 5 16
Si6D Al6C Al6A 58.0(17) . 16
Si6D Al6C Al6A 55.2(8) 10 16
Si6D Al6C Al6A 136(4) 9 16
Al5B Al6C Al6A 123.3(17) 5 16
Al6A Al6C Al6A 113(3) . 16
Al6B Al6C Al6B 30.6(17) 16 18
Al6B Al6C Al6B 109(4) . 18
Al5A Al6C Al6B 138.9(17) 5 18
Si6D Al6C Al6B 39.4(13) . 18
Si6D Al6C Al6B 73.1(13) 10 18
Si6D Al6C Al6B 133(4) 9 18
Al5B Al6C Al6B 140.8(13) 5 18
Al6A Al6C Al6B 96(3) . 18
Al6A Al6C Al6B 18.9(7) 16 18
Al6B Al6C Al6B 109(4) 16 5
Al6B Al6C Al6B 30.6(17) . 5
Al5A Al6C Al6B 138.9(17) 5 5
Si6D Al6C Al6B 39.4(13) . 5
Si6D Al6C Al6B 133(4) 10 5
Si6D Al6C Al6B 73.1(13) 9 5
Al5B Al6C Al6B 140.8(13) 5 5
Al6A Al6C Al6B 18.9(7) . 5
Al6A Al6C Al6B 96(3) 16 5
Al6B Al6C Al6B 78(2) 18 5
Al6B Al6C Al6C 102(3) 16 14
Al6B Al6C Al6C 102(3) . 14
Al5A Al6C Al6C 37(3) 5 14
Si6D Al6C Al6C 135(2) . 14
Si6D Al6C Al6C 52.3(17) 10 14
Si6D Al6C Al6C 52.3(17) 9 14
Al5B Al6C Al6C 54(2) 5 14
Al6A Al6C Al6C 104.8(19) . 14
Al6A Al6C Al6C 104.8(19) 16 14
Al6B Al6C Al6C 119.2(16) 18 14
Al6B Al6C Al6C 119.2(16) 5 14
Al6B Si6D Al6B 164.6(12) 18 5
Al6B Si6D Al6C 93.0(10) 18 .
Al6B Si6D Al6C 93.0(10) 5 .
Al6B Si6D Al6B 138.8(10) 18 .
Al6B Si6D Al6B 46.3(15) 5 .
Al6C Si6D Al6B 46.8(7) . .
Al6B Si6D Al6B 46.3(15) 18 16
Al6B Si6D Al6B 138.8(10) 5 16
Al6C Si6D Al6B 46.8(7) . 16
Al6B Si6D Al6B 93.4(15) . 16
Al6B Si6D Al6A 155.4(12) 18 .
Al6B Si6D Al6A 23.3(7) 5 .
Al6C Si6D Al6A 70.1(6) . .
Al6B Si6D Al6A 24.1(6) . .
Al6B Si6D Al6A 115.4(9) 16 .
Al6B Si6D Al6A 23.3(7) 18 16
Al6B Si6D Al6A 155.4(12) 5 16
Al6C Si6D Al6A 70.1(6) . 16
Al6B Si6D Al6A 115.4(9) . 16
Al6B Si6D Al6A 24.1(6) 16 16
Al6A Si6D Al6A 134.5(9) . 16
Al6B Si6D Al5A 86.3(10) 18 9
Al6B Si6D Al5A 86.3(10) 5 9
Al6C Si6D Al5A 174(2) . 9
Al6B Si6D Al5A 132.6(8) . 9
Al6B Si6D Al5A 132.6(8) 16 9
Al6A Si6D Al5A 108.7(5) . 9
Al6A Si6D Al5A 108.7(5) 16 9
Al6B Si6D Al6C 46.1(18) 18 18
Al6B Si6D Al6C 121(2) 5 18
Al6C Si6D Al6C 132(3) . 18
Al6B Si6D Al6C 152(2) . 18
Al6B Si6D Al6C 90(2) 16 18
Al6A Si6D Al6C 135.5(18) . 18
Al6A Si6D Al6C 65.5(19) 16 18
Al5A Si6D Al6C 45(2) 9 18
Al6B Si6D Al6C 121(2) 18 5
Al6B Si6D Al6C 46.1(18) 5 5
Al6C Si6D Al6C 132(3) . 5
Al6B Si6D Al6C 90(2) . 5
Al6B Si6D Al6C 152(2) 16 5
Al6A Si6D Al6C 65.5(19) . 5
Al6A Si6D Al6C 135.5(18) 16 5
Al5A Si6D Al6C 45(2) 9 5
Al6C Si6D Al6C 75(3) 18 5
Al6B Si6D Al5B 88.0(10) 18 9
Al6B Si6D Al5B 88.0(10) 5 9
Al6C Si6D Al5B 172(2) . 9
Al6B Si6D Al5B 133.1(7) . 9
Al6B Si6D Al5B 133.1(7) 16 9
Al6A Si6D Al5B 111.3(5) . 9
Al6A Si6D Al5B 111.3(5) 16 9
Al5A Si6D Al5B 13.8(3) 9 9
Al6C Si6D Al5B 53(2) 18 9
Al6C Si6D Al5B 53(2) 5 9
Al6B Si6D Al6B 22.9(8) 18 23
Al6B Si6D Al6B 151.2(8) 5 23
Al6C Si6D Al6B 73.3(8) . 23
Al6B Si6D Al6B 116.7(9) . 23
Al6B Si6D Al6B 29.5(7) 16 23
Al6A Si6D Al6B 133.0(7) . 23
Al6A Si6D Al6B 7.9(5) 16 23
Al5A Si6D Al6B 104.8(4) 9 23
Al6C Si6D Al6B 60.4(19) 18 23
Al6C Si6D Al6B 128.0(17) 5 23
Al5B Si6D Al6B 109.2(4) 9 23
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Si6D 2.308(10) 21
Ru1 Si6D 2.308(10) 9
Ru1 Si6D 2.308(10) 17
Ru1 Si6D 2.308(10) 5
Ru1 Si6D 2.308(10) 13
Ru1 Si6D 2.308(10) .
Ru1 Si6D 2.308(10) 22
Ru1 Si6D 2.308(10) 10
Ru1 Si6D 2.308(10) 18
Ru1 Si6D 2.308(10) 6
Ru1 Si6D 2.308(10) 14
Ru1 Si6D 2.308(10) 2
Si2 Al4 2.7947(7) 21_666
Si2 Al4 2.7947(7) 9
Si2 Al4 2.7947(7) 17_666
Si2 Al4 2.7947(7) 5
Si2 Al4 2.7947(7) 13_666
Si2 Al4 2.7947(7) 22_565
Si2 Al4 2.7947(7) 10_656
Si2 Al4 2.7947(7) 6_566
Si2 Al4 2.7947(7) 18_655
Si2 Al4 2.7947(7) 2_665
Si2 Al4 2.7947(7) 14_556
Si2 Al4 2.7947(7) .
Ru3 Si6D 2.213(10) 9
Ru3 Si6D 2.213(10) 22_565
Ru3 Al5B 2.343(3) 5
Ru3 Al5B 2.343(3) 17_565
Ru3 Al5A 2.5014(14) 5
Ru3 Al5A 2.5014(14) 17_565
Ru3 Al4 2.5767(5) .
Ru3 Al4 2.5767(5) 2_665
Ru3 Al4 2.5767(5) 14
Ru3 Al4 2.5767(5) 13_665
Ru3 Al4 2.5898(7) 6_565
Ru3 Al4 2.5898(7) 5
Al4 Al6B 2.377(5) 9
Al4 Al6B 2.377(5) 23_655
Al4 Al6C 2.67(5) 9
Al4 Al6C 2.67(5) 10_655
Al4 Al6A 2.696(8) 16_655
Al4 Al6A 2.696(8) .
Al4 Al4 2.8603(13) 2_665
Al4 Al6B 2.870(10) .
Al5A Al5B 0.62(2) .
Al5A Al6C 1.21(6) 22
Al5A Al6C 1.21(6) 9
Al5A Al5B 1.23(2) 13_655
Al5A Si6D 1.578(13) 6
Al5A Si6D 1.578(13) 5
Al5A Al5A 1.852(8) 13_655
Al5A Al6B 1.925(16) 11
Al5A Al6B 1.925(16) 22
Al5A Al6B 1.925(16) 9
Al5A Al6B 1.925(16) 24
Al5B Al5B 0.61(4) 13_655
Al5B Al6C 1.66(6) 22
Al5B Al6C 1.66(6) 9
Al5B Si6D 2.03(2) 6
Al5B Si6D 2.03(2) 5
Al5B Al6C 2.18(6) 10_655
Al5B Al6C 2.18(6) 21_655
Al5B Al6B 2.33(2) 11
Al5B Al6B 2.33(2) 24
Al5B Al6B 2.33(2) 22
Al6A Al6B 0.626(17) .
Al6A Al6B 0.626(17) 9
Al6A Al6B 0.626(17) 5
Al6A Si6D 1.514(6) .
Al6A Si6D 1.514(6) 9
Al6A Si6D 1.514(6) 5
Al6A Al6C 1.68(3) 5
Al6A Al6C 1.68(3) 9
Al6A Al6C 1.68(3) .
Al6B Al6B 1.08(3) 5
Al6B Al6B 1.08(3) 9
Al6B Al6C 1.15(2) .
Al6B Si6D 1.209(6) 9
Al6B Si6D 1.477(10) .
Al6B Al6C 1.90(5) 9
Al6B Si6D 2.091(16) 5
Al6B Al6B 2.15(2) 16
Al6B Al6C 2.16(3) 5
Al6C Si6D 1.40(6) .
Al6C Si6D 1.58(4) 10
Al6C Si6D 1.58(4) 9
Al6C Al6C 1.94(11) 14
